data_1n6z_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 1n6z _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.562 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.549 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 97' ' ' VAL . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' CG ' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 2.7 m-80 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CG ' HD12 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.622 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.662 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.556 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.507 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG23 ' CD1' ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.549 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 75' ' ' GLU . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.499 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' CD1' HG11 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.547 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.517 ' SD ' ' C ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CG ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CB ' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 43' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.655 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.596 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.517 ' C ' ' SD ' ' A' ' 9' ' ' MET . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 12' ' ' LEU . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.492 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.551 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.473 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' CA ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' O ' ' OG1' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 102' ' ' GLU . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.512 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.521 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.659 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.501 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.491 ' C ' ' SD ' ' A' ' 9' ' ' MET . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.52 ' CA ' ' SD ' ' A' ' 9' ' ' MET . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 84' ' ' LEU . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.551 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.472 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.545 0.212 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.51 ' HE1' ' CG2' ' A' ' 82' ' ' ILE . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HG11 ' A' ' 38' ' ' VAL . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 11' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.612 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.667 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.638 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.502 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.51 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.543 ' CG1' ' CB ' ' A' ' 75' ' ' GLU . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' HE2' ' A' ' 9' ' ' MET . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.461 ' CE ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 84' ' ' LEU . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.55 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.498 ' HE3' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CB ' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CB ' HG13 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 43' ' ' LEU . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.61 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.665 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.521 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.505 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.498 ' CG2' ' HE3' ' A' ' 9' ' ' MET . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.493 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.489 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 94' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.553 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.442 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 41' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.565 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 94' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.633 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.672 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.491 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.565 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 75' ' ' GLU . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.442 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 94' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.55 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.485 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.565 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.621 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.669 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.588 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.44 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 9' ' ' MET . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 84' ' ' LEU . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.538 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.523 ' OH ' ' CG2' ' A' ' 47' ' ' VAL . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.463 ' HE1' ' CG2' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.491 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.634 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.661 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.576 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.504 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.63 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' CG2' HD23 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.481 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 84' ' ' LEU . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.446 ' N ' HG11 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 100' ' ' PHE . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 80' ' ' GLY . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.575 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 97' ' ' VAL . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' CB ' HG13 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 46' ' ' ASN . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 45' ' ' PHE . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.629 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.665 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.544 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.529 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.575 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.488 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.543 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.418 HG13 ' CB ' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.518 ' N ' HD23 ' A' ' 43' ' ' LEU . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' O ' ' CG2' ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' CB ' HG23 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' HD23 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' ASP . 11.8 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.539 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.557 ' OD1' ' CG2' ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.507 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.498 HG12 ' CE ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.507 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.501 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.542 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.557 ' CG2' ' OD1' ' A' ' 68' ' ' ASN . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 100' ' ' PHE . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.597 0.236 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -61.58 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.18 154.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -81.36 64.76 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -164.35 103.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.377 1.048 . . . . 0.0 109.358 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.28 158.58 25.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.562 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.549 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 97' ' ' VAL . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' CG ' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -134.34 139.15 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -88.74 124.62 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.73 125.44 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 2.7 m-80 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 5.2 97.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 120.59 49.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.3 -67.43 1.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.69 137.85 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.71 162.27 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 m170 58.03 63.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.53 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -122.97 147.1 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 4.4 p90 -61.77 132.84 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.27 -39.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CG ' HD12 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.622 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.662 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.556 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.507 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG23 ' CD1' ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.549 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 75' ' ' GLU . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.499 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' CD1' HG11 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.547 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.501 0.191 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 165.37 42.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 89.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.3 -174.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.575 1.172 . . . . 0.0 109.883 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -60.66 118.78 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.419 ' CG2' ' HE2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -119.33 158.88 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.517 ' SD ' ' C ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CG ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tp -133.97 139.67 46.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -86.62 121.4 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.97 124.46 52.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 27' ' ' LEU . . . -165.99 -40.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 146.25 98.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.337 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.01 -47.0 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 169.8 17.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 0.809 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -102.89 158.75 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 11.9 p80 39.09 78.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.185 . . . . 0.0 109.674 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.4 149.6 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.206 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 3.4 p90 -62.34 134.11 56.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 p -103.52 -36.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CB ' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 43' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.655 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.596 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.517 ' C ' ' SD ' ' A' ' 9' ' ' MET . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 12' ' ' LEU . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.492 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.551 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.473 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CG ' ' OD1' ' A' ' 46' ' ' ASN . 12.1 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.454 0.168 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -77.25 169.53 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 68.4 166.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.378 1.049 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.68 81.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -161.4 108.29 1.42 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.33 159.18 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' CA ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.49 140.59 47.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -87.16 117.57 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.32 127.44 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' O ' ' OG1' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.2 -40.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 121.1 81.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.306 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.08 30.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.45 -36.21 4.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.78 169.33 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 142.55 36.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 46.56 71.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.11 145.52 51.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.619 1.199 . . . . 0.0 110.246 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 5.4 p90 -62.62 132.1 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -101.95 -34.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 102' ' ' GLU . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' OD1' ' CG ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.512 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.521 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.659 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.501 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.491 ' C ' ' SD ' ' A' ' 9' ' ' MET . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.52 ' CA ' ' SD ' ' A' ' 9' ' ' MET . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 84' ' ' LEU . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.551 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.472 ' N ' HG13 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.493 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.61 -52.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 50.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -140.45 -176.07 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 6.6 m-80 -61.82 124.12 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 158.88 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.062 . . . . 0.0 110.442 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.51 ' HE1' ' CG2' ' A' ' 82' ' ' ILE . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HG11 ' A' ' 38' ' ' VAL . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.73 140.01 46.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -88.03 136.25 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.222 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.06 126.07 51.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 170.46 -38.55 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.58 137.31 90.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.602 0.825 . . . . 0.0 109.302 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.43 -36.78 4.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 165.63 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 0.718 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mtt -80.85 125.57 30.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 m80 44.58 71.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -125.15 150.01 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 3.1 p90 -62.21 128.87 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 11' ' ' VAL . 7.5 p -99.04 -34.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.612 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.667 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.638 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.488 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.502 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.51 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.543 ' CG1' ' CB ' ' A' ' 75' ' ' GLU . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' HE2' ' A' ' 9' ' ' MET . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.461 ' CE ' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 84' ' ' LEU . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.55 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p 39.17 35.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.075 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -172.73 161.36 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.38 -55.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 2.4 m-20 174.07 122.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.2 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.32 159.03 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.498 ' HE3' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.628 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.91 140.72 46.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -86.98 117.33 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.17 130.88 53.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CB ' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.29 -43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 148.73 98.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.424 0.72 . . . . 0.0 109.296 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 150.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.51 -39.35 1.93 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.96 167.46 13.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.446 ' C ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -98.41 151.49 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CG ' ' C ' ' A' ' 34' ' ' MET . 4.7 p80 45.86 74.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.651 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.54 151.07 43.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.628 ' CD1' ' CD1' ' A' ' 10' ' ' LEU . 3.3 m-30 -63.07 135.59 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -101.53 -36.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CB ' HG13 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 43' ' ' LEU . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.665 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.521 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.569 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.505 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.498 ' CG2' ' HE3' ' A' ' 9' ' ' MET . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.493 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.489 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 94' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.553 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 41' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 t 157.65 -32.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -40.11 -70.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -175.36 150.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' SER . 6.0 m120 79.41 97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.85 158.31 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.565 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' CG1' HG22 ' A' ' 94' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -133.49 117.41 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 116.92 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -114.24 154.1 28.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 15.5 89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' N ' HD22 ' A' ' 27' ' ' LEU . 2.5 ttmt -115.43 120.03 37.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 18.4 Cg_endo -75.11 -28.94 8.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.68 -87.97 0.13 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 152.4 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 0.801 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 137.01 32.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 50.93 79.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.44 146.4 50.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -62.2 142.2 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.19 -35.07 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CG ' HD11 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.633 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.672 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.491 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.565 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 75' ' ' GLU . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.442 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 94' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.55 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.385 0.136 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -63.58 1.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.173 . . . . 0.0 109.942 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 62.1 6.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.09 164.32 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 4.4 m120 -61.48 108.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.37 159.03 17.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.448 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.485 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' CA ' ' HB3' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -133.23 137.49 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.48 148.11 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.78 148.34 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.396 1.06 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.9 98.11 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 114.92 65.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.442 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -35.01 3.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.605 1.845 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.25 -41.27 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 169.89 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.14 170.12 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -56.21 149.87 15.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.621 1.201 . . . . 0.0 109.64 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 10.9 pt-20 -120.67 143.26 48.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 29.6 p90 -58.42 132.66 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.33 -39.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HA ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.621 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.669 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.588 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 9' ' ' MET . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.538 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.478 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 164.38 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.959 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -116.63 -73.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 1.3 m 157.9 76.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.7 m-20 157.63 116.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.92 159.43 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.523 ' OH ' ' CG2' ' A' ' 47' ' ' VAL . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.463 ' HE1' ' CG2' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.94 141.11 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.08 149.01 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.68 154.54 23.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.491 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 44.93 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -66.35 112.63 9.74 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.41 11.94 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.422 1.748 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.79 -72.67 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -120.39 148.32 43.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 ptm -79.57 131.85 36.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 69.54 73.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.84 152.97 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 47.9 p90 -62.39 125.81 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.95 -35.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' C ' ' HG3' ' A' ' 1' ' ' MET . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.634 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.661 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.576 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.504 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.63 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' CG2' HD23 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.481 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 84' ' ' LEU . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.446 ' N ' HG11 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 100' ' ' PHE . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.57 ' N ' ' CB ' ' A' ' 44' ' ' PRO . 15.0 mmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.44 0.162 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LYS . 1.1 m -87.46 13.87 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -39.92 -64.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 160.92 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' SER . 9.0 m-20 172.41 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.8 159.07 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 80' ' ' GLY . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.575 ' CE ' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 97' ' ' VAL . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' CD2' ' CG2' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -133.57 140.32 47.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.03 126.47 34.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.21 126.79 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 17.05 94.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -113.03 123.94 32.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -34.75 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.73 -34.39 4.66 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.54 168.25 9.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.27 169.95 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -38.6 124.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -105.8 154.29 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 53.0 p90 -59.3 123.76 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.46 -43.64 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' CB ' HG13 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.57 ' CB ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 46' ' ' ASN . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 45' ' ' PHE . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.629 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.665 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.544 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.529 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.575 ' CG2' ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' CG2' ' CD2' ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.488 ' HG3' ' CG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.543 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.418 HG13 ' CB ' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.547 0.213 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.473 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 2.1 t -54.43 -63.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.5 mttt -41.18 158.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.5 t 79.58 -69.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 2.2 m-20 174.8 125.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -116.74 159.0 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.518 ' N ' HD23 ' A' ' 43' ' ' LEU . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' CD1' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' CD1' ' HG3' ' A' ' 85' ' ' MET . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 141.31 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -86.91 148.97 25.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' CB ' ' CB ' ' A' ' 31' ' ' PRO . 2.7 m-20 -110.02 137.59 47.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' O ' ' CG2' ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' CB ' HG23 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' HD23 ' A' ' 27' ' ' LEU . . . -170.12 54.41 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 120.49 37.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' CB ' ' CB ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -75.2 -25.5 11.51 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.478 1.778 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -102.63 0.47 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 160.46 22.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 0.739 . . . . 0.0 109.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 130.62 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CG ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER 50.61 73.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.21 153.39 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 15.7 p90 -62.36 124.35 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' ASP . 11.8 p -99.34 -31.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' CD1' ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.539 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD3' ' O ' ' A' ' 63' ' ' GLU . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.557 ' OD1' ' CG2' ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.507 ' CG2' ' HE1' ' A' ' 9' ' ' MET . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG12 ' CE ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.507 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.501 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.542 ' O ' ' CG1' ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.557 ' CG2' ' OD1' ' A' ' 68' ' ' ASN . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 100' ' ' PHE . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.657 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.076 ' CE ' HG22 ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 84' ' ' LEU . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.947 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.078 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.659 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.95 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.95 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.878 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.731 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.781 ' O ' HD13 ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.646 HG22 HD12 ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HD2' ' CB ' ' A' ' 85' ' ' MET . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.607 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 82' ' ' ILE . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.076 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.813 HG13 ' HE1' ' A' ' 85' ' ' MET . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.838 ' CG ' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.941 HD13 HG13 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG2' HG23 ' A' ' 90' ' ' ILE . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 41' ' ' LEU . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' ILE . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.652 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.834 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 84' ' ' LEU . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 94' ' ' VAL . 2.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 23' ' ' ASP . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.657 ' HB2' HG21 ' A' ' 19' ' ' ILE . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' A' ' 27' ' ' LEU . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' HD22 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 11' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 7' ' ' TYR . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.834 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.609 ' CD1' HD22 ' A' ' 53' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 45' ' ' PHE . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.887 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.656 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.72 ' O ' HD13 ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 82' ' ' ILE . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.753 HG23 HG12 ' A' ' 76' ' ' ILE . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.961 HG22 ' HE2' ' A' ' 85' ' ' MET . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.774 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.961 ' HE2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 HG13 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' A' ' 91' ' ' GLU . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 90' ' ' ILE . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' ILE . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.793 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' HG11 ' A' ' 101' ' ' VAL . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 7' ' ' TYR . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.793 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.645 ' O ' HD23 ' A' ' 50' ' ' LEU . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.66 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.733 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.733 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.802 ' O ' HD13 ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.602 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.893 HG12 HG23 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.893 HG23 HG12 ' A' ' 76' ' ' ILE . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.823 HG23 HD13 ' A' ' 10' ' ' LEU . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.913 HD13 HG13 ' A' ' 93' ' ' VAL . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.766 ' HA ' HD11 ' A' ' 13' ' ' LEU . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.081 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.081 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 86' ' ' LEU . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.545 0.212 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.609 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.825 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.872 HG23 ' HB3' ' A' ' 84' ' ' LEU . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.902 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' N ' HD22 ' A' ' 27' ' ' LEU . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' HB2' HG11 ' A' ' 101' ' ' VAL . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.825 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.843 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' THR . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.889 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.753 ' O ' HD13 ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' HA ' ' HE3' ' A' ' 85' ' ' MET . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 45' ' ' PHE . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG13 ' HE1' ' A' ' 85' ' ' MET . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.938 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.953 HD13 HG13 ' A' ' 93' ' ' VAL . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 43' ' ' LEU . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.888 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' HG3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.0 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 82' ' ' ILE . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 46' ' ' ASN . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 55' ' ' THR . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.909 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.744 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.762 ' O ' HD13 ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.706 HG22 HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.571 ' HB3' HD22 ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.69 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.98 HG23 HG12 ' A' ' 76' ' ' ILE . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.898 HG13 ' CE ' ' A' ' 85' ' ' MET . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.898 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.95 HD13 HG13 ' A' ' 93' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 13' ' ' LEU . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG2' HG23 ' A' ' 90' ' ' ILE . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.087 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' HG21 ' A' ' 11' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 43' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.81 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.08 ' CE ' HG22 ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' A' ' 23' ' ' ASP . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB2' HG21 ' A' ' 19' ' ' ILE . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.064 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 11' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.908 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.781 ' CE1' HD22 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 50' ' ' LEU . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.748 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 84' ' ' LEU . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.917 HG12 HG23 ' A' ' 82' ' ' ILE . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.08 HG22 ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.742 HG13 ' HE1' ' A' ' 85' ' ' MET . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.561 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.742 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 93' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.784 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 90' ' ' ILE . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG23 HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HG2' HD11 ' A' ' 41' ' ' LEU . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 42' ' ' ILE . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.655 ' CB ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.923 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' CD1' HG23 ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.917 HG23 ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 23' ' ' ASP . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' N ' HD12 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.655 HD13 ' CB ' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.729 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.786 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.81 HG12 HG23 ' A' ' 82' ' ' ILE . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.81 HG23 HG12 ' A' ' 76' ' ' ILE . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.836 HG22 HD21 ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.917 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 93' ' ' VAL . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' A' ' 90' ' ' ILE . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.056 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 41' ' ' LEU . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.626 HG11 ' HB2' ' A' ' 41' ' ' LEU . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.729 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.835 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.493 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.718 ' HG2' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.648 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.835 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CD1' HD13 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.005 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.005 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.713 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.869 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.785 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.636 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.936 HG12 HG23 ' A' ' 82' ' ' ILE . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 81' ' ' LEU . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.936 HG23 HG12 ' A' ' 76' ' ' ILE . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.757 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 93' ' ' VAL . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HA ' HD11 ' A' ' 13' ' ' LEU . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.066 ' O ' HG12 ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.066 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.757 HG13 HD23 ' A' ' 43' ' ' LEU . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.071 ' CE ' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 84' ' ' LEU . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' HB2' HG21 ' A' ' 94' ' ' VAL . 1.8 tp . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 27' ' ' LEU . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.04 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.678 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.711 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 7' ' ' TYR . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 55' ' ' THR . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.971 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.971 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.634 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.72 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.765 ' O ' HD13 ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.497 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.658 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.536 HG12 HG23 ' A' ' 82' ' ' ILE . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.071 HG22 ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.934 HD13 HG13 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HG2' HG23 ' A' ' 90' ' ' ILE . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.057 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.057 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.854 ' CE ' HG22 ' A' ' 82' ' ' ILE . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.93 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 38' ' ' VAL . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.807 ' CD2' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.585 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 16' ' ' ASP . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.724 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.06 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.722 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' VAL . 11.8 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.578 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 82' ' ' ILE . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' THR . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.857 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.704 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.857 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.704 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.574 ' OD1' HG21 ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.737 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.491 ' HG3' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.59 ' HB3' HD22 ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.808 ' CB ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.861 HG12 HG23 ' A' ' 82' ' ' ILE . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.861 HG23 HG12 ' A' ' 76' ' ' ILE . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.93 HG23 ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.898 HD11 HD21 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.811 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.925 ' CD1' HG13 ' A' ' 93' ' ' VAL . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.846 ' HG3' HG23 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 41' ' ' LEU . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.597 0.236 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -61.58 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.18 154.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -81.36 64.76 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -164.35 103.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.377 1.048 . . . . 0.0 109.358 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.28 158.58 25.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.657 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.076 ' CE ' HG22 ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 84' ' ' LEU . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -134.34 139.15 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -88.74 124.62 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.73 125.44 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.947 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.078 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 5.2 97.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.39 120.59 49.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.3 -67.43 1.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.69 137.85 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.71 162.27 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 m170 58.03 63.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.53 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 1.6 tt0 -122.97 147.1 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 4.4 p90 -61.77 132.84 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.27 -39.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.659 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 3.1 m-20 -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.95 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.95 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.878 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.731 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.781 ' O ' HD13 ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.646 HG22 HD12 ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HD2' ' CB ' ' A' ' 85' ' ' MET . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.607 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 82' ' ' ILE . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.076 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.813 HG13 ' HE1' ' A' ' 85' ' ' MET . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.838 ' CG ' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.941 HD13 HG13 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG2' HG23 ' A' ' 90' ' ' ILE . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 41' ' ' LEU . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.556 ' H3 ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.501 0.191 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 165.37 42.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 89.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.3 -174.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.575 1.172 . . . . 0.0 109.883 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -60.66 118.78 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 HG23 ' CE ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -119.33 158.88 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' ILE . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.652 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.834 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 84' ' ' LEU . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 94' ' ' VAL . 2.2 tp -133.97 139.67 46.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.4 tm-20 -86.62 121.4 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.97 124.46 52.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 23' ' ' ASP . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.657 ' HB2' HG21 ' A' ' 19' ' ' ILE . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' A' ' 27' ' ' LEU . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' HD22 ' A' ' 27' ' ' LEU . . . -165.99 -40.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.37 146.25 98.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.337 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.01 -47.0 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 169.8 17.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 0.809 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -102.89 158.75 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB2' HD12 ' A' ' 12' ' ' LEU . 50.8 p-80 39.09 78.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.185 . . . . 0.0 109.674 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 2.7 mt-10 -131.4 149.6 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 3.4 p90 -62.34 134.11 56.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 11' ' ' VAL . 4.2 p -103.52 -36.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 7' ' ' TYR . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.834 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.609 ' CD1' HD22 ' A' ' 53' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 45' ' ' PHE . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.887 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.656 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.72 ' O ' HD13 ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 82' ' ' ILE . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.753 HG23 HG12 ' A' ' 76' ' ' ILE . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.961 HG22 ' HE2' ' A' ' 85' ' ' MET . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.774 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.961 ' HE2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 HG13 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' A' ' 91' ' ' GLU . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 90' ' ' ILE . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CG ' ' OD1' ' A' ' 46' ' ' ASN . 12.1 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.454 0.168 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -77.25 169.53 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 68.4 166.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.378 1.049 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.68 81.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -161.4 108.29 1.42 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.33 159.18 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' ILE . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.793 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -133.49 140.59 47.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -87.16 117.57 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.32 127.44 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.2 -40.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 121.1 81.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.306 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.08 30.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.45 -36.21 4.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.78 169.33 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 142.55 36.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m80 46.56 71.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 8.8 tp10 -130.11 145.52 51.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.619 1.199 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 5.4 p90 -62.62 132.1 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.2 p -101.95 -34.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' HG11 ' A' ' 101' ' ' VAL . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 7' ' ' TYR . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.793 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' OD1' ' CG ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.645 ' O ' HD23 ' A' ' 50' ' ' LEU . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.66 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.733 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.733 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.802 ' O ' HD13 ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.602 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.893 HG12 HG23 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.893 HG23 HG12 ' A' ' 76' ' ' ILE . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.823 HG23 HD13 ' A' ' 10' ' ' LEU . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.913 HD13 HG13 ' A' ' 93' ' ' VAL . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.766 ' HA ' HD11 ' A' ' 13' ' ' LEU . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.081 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.081 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 86' ' ' LEU . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.493 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.61 -52.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 50.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -140.45 -176.07 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -61.82 124.12 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 158.88 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.062 . . . . 0.0 110.442 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.609 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.825 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.872 HG23 ' HB3' ' A' ' 84' ' ' LEU . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.902 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -133.73 140.01 46.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 88' ' ' LYS . 5.4 pt-20 -88.03 136.25 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.222 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.06 126.07 51.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' N ' HD22 ' A' ' 27' ' ' LEU . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.46 -38.55 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.58 137.31 90.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.602 0.825 . . . . 0.0 109.302 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.43 -36.78 4.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 165.63 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 0.718 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mtt -80.85 125.57 30.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.58 71.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -125.15 150.01 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 3.1 p90 -62.21 128.87 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.04 -34.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' HB2' HG11 ' A' ' 101' ' ' VAL . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.825 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.843 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 2.8 m-80 -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' THR . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.889 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.753 ' O ' HD13 ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' HA ' ' HE3' ' A' ' 85' ' ' MET . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 45' ' ' PHE . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG13 ' HE1' ' A' ' 85' ' ' MET . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.938 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.953 HD13 HG13 ' A' ' 93' ' ' VAL . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HB2' ' CG ' ' A' ' 14' ' ' GLU . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 43' ' ' LEU . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p 39.17 35.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.075 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -172.73 161.36 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.38 -55.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 2.4 m-20 174.07 122.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.2 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.32 159.03 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.888 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.628 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -133.91 140.72 46.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 3.9 tm-20 -86.98 117.33 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.17 130.88 53.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' HG3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.29 -43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 148.73 98.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.424 0.72 . . . . 0.0 109.296 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 150.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.51 -39.35 1.93 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.96 167.46 13.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.446 ' C ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -98.41 151.49 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB2' HD12 ' A' ' 12' ' ' LEU . 8.1 p-80 45.86 74.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.651 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -123.54 151.07 43.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.628 ' CD1' ' CD1' ' A' ' 10' ' ' LEU . 3.3 m-30 -63.07 135.59 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.0 p -101.53 -36.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 82' ' ' ILE . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 46' ' ' ASN . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 55' ' ' THR . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.909 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.744 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.762 ' O ' HD13 ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.706 HG22 HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.571 ' HB3' HD22 ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.69 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.98 HG23 HG12 ' A' ' 76' ' ' ILE . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.898 HG13 ' CE ' ' A' ' 85' ' ' MET . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.898 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.95 HD13 HG13 ' A' ' 93' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 13' ' ' LEU . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG2' HG23 ' A' ' 90' ' ' ILE . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.087 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' HG21 ' A' ' 11' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 43' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 t 157.65 -32.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -40.11 -70.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -175.36 150.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' SER . 6.0 m120 79.41 97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.85 158.31 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.81 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.08 ' CE ' HG22 ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -133.49 117.41 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 116.92 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -114.24 154.1 28.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' A' ' 23' ' ' ASP . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB2' HG21 ' A' ' 19' ' ' ILE . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.064 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 15.5 89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.866 ' H ' HD21 ' A' ' 27' ' ' LEU . 2.5 ttmt -115.43 120.03 37.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 18.4 Cg_endo -75.11 -28.94 8.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.68 -87.97 0.13 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 152.4 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 0.801 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 137.01 32.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' HB3' HD12 ' A' ' 12' ' ' LEU . 88.9 m-70 50.93 79.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.44 146.4 50.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -62.2 142.2 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 11' ' ' VAL . 8.0 p -101.19 -35.07 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.908 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.781 ' CE1' HD22 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 50' ' ' LEU . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.748 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 84' ' ' LEU . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.917 HG12 HG23 ' A' ' 82' ' ' ILE . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.08 HG22 ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.742 HG13 ' HE1' ' A' ' 85' ' ' MET . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.561 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.742 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 93' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.784 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 90' ' ' ILE . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG23 HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HG2' HD11 ' A' ' 41' ' ' LEU . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' N ' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.385 0.136 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -63.58 1.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.173 . . . . 0.0 109.942 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 62.1 6.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.09 164.32 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 4.4 m120 -61.48 108.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.37 159.03 17.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.448 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 42' ' ' ILE . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.655 ' CB ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.923 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' CD1' HG23 ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.917 HG23 ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -133.23 137.49 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 8.8 pt-20 -87.48 148.11 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.78 148.34 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.396 1.06 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 23' ' ' ASP . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD11 ' H ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -165.9 98.11 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' H ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.05 114.92 65.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.442 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -35.01 3.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.605 1.845 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.25 -41.27 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 169.89 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.14 170.12 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -56.21 149.87 15.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.621 1.201 . . . . 0.0 109.64 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 10.9 pt-20 -120.67 143.26 48.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 29.6 p90 -58.42 132.66 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.3 p -102.33 -39.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.655 HD13 ' CB ' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HA ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.729 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.786 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.81 HG12 HG23 ' A' ' 82' ' ' ILE . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.81 HG23 HG12 ' A' ' 76' ' ' ILE . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.836 HG22 HD21 ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.917 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 93' ' ' VAL . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' A' ' 90' ' ' ILE . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.056 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 41' ' ' LEU . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.626 HG11 ' HB2' ' A' ' 41' ' ' LEU . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.57 ' HB2' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.478 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER 164.38 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.959 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -116.63 -73.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 1.3 m 157.9 76.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.7 m-20 157.63 116.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -122.92 159.43 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.729 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.835 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -133.94 141.11 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.08 149.01 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.68 154.54 23.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.493 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.718 ' HG2' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.648 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.93 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -66.35 112.63 9.74 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.41 11.94 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.422 1.748 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.79 -72.67 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -120.39 148.32 43.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 ptm -79.57 131.85 36.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB3' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER 69.54 73.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -110.84 152.97 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 47.9 p90 -62.39 125.81 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.95 -35.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.835 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 1' ' ' MET . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CD1' HD13 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.541 ' ND2' ' HB3' ' A' ' 1' ' ' MET . 1.7 m-80 -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.005 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.005 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.713 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.869 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.785 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.636 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.936 HG12 HG23 ' A' ' 82' ' ' ILE . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 81' ' ' LEU . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.936 HG23 HG12 ' A' ' 76' ' ' ILE . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.757 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 93' ' ' VAL . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HA ' HD11 ' A' ' 13' ' ' LEU . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.066 ' O ' HG12 ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.066 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.757 HG13 HD23 ' A' ' 43' ' ' LEU . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.57 ' N ' ' CB ' ' A' ' 44' ' ' PRO . 15.0 mmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.44 0.162 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LYS . 1.1 m -87.46 13.87 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -39.92 -64.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 160.92 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' SER . 9.0 m-20 172.41 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.8 159.07 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.071 ' CE ' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 84' ' ' LEU . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' HB2' HG21 ' A' ' 94' ' ' VAL . 1.8 tp -133.57 140.32 47.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.03 126.47 34.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.21 126.79 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 27' ' ' LEU . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.04 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.678 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 17.05 94.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.73 ' N ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -113.03 123.94 32.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -34.75 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.73 -34.39 4.66 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.54 168.25 9.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.27 169.95 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -38.6 124.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -105.8 154.29 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 53.0 p90 -59.3 123.76 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.46 -43.64 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.711 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 7' ' ' TYR . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.57 ' CB ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 55' ' ' THR . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.971 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.971 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.634 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.72 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.765 ' O ' HD13 ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.497 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.658 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.536 HG12 HG23 ' A' ' 82' ' ' ILE . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.071 HG22 ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.934 HD13 HG13 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HG2' HG23 ' A' ' 90' ' ' ILE . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.057 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.057 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HB2' ' CA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.547 0.213 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 2.1 t -54.43 -63.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.5 mttt -41.18 158.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.5 t 79.58 -69.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 174.8 125.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -116.74 159.0 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.854 ' CE ' HG22 ' A' ' 82' ' ' ILE . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.93 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 38' ' ' VAL . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.807 ' CD2' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.585 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -133.41 141.31 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -86.91 148.97 25.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' CB ' ' CB ' ' A' ' 31' ' ' PRO . 2.7 m-20 -110.02 137.59 47.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 16' ' ' ASP . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.724 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.06 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.722 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -170.12 54.41 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.821 ' H ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -114.88 120.49 37.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' CB ' ' CB ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -75.2 -25.5 11.51 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.478 1.778 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -102.63 0.47 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 160.46 22.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 0.739 . . . . 0.0 109.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 130.62 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER 50.61 73.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -124.21 153.39 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 15.7 p90 -62.36 124.35 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' VAL . 11.8 p -99.34 -31.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.578 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.496 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 82' ' ' ILE . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' THR . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.857 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.704 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.857 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.704 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.574 ' OD1' HG21 ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.737 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.491 ' HG3' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.59 ' HB3' HD22 ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.808 ' CB ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.861 HG12 HG23 ' A' ' 82' ' ' ILE . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.861 HG23 HG12 ' A' ' 76' ' ' ILE . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.93 HG23 ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.898 HD11 HD21 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.811 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.925 ' CD1' HG13 ' A' ' 93' ' ' VAL . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.846 ' HG3' HG23 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 41' ' ' LEU . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.657 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.076 ' CE ' HG22 ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 84' ' ' LEU . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.442 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 2.7 m-80 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.947 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.078 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.659 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.95 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.95 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.878 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.731 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.781 ' O ' HD13 ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.646 HG22 HD12 ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HD2' ' CB ' ' A' ' 85' ' ' MET . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.607 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 82' ' ' ILE . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.076 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.813 HG13 ' HE1' ' A' ' 85' ' ' MET . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.838 ' CG ' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.941 HD13 HG13 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 88' ' ' LYS . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG2' HG23 ' A' ' 90' ' ' ILE . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 41' ' ' LEU . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' ILE . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.652 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.834 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 84' ' ' LEU . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 94' ' ' VAL . 2.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 23' ' ' ASP . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.657 ' HB2' HG21 ' A' ' 19' ' ' ILE . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' A' ' 27' ' ' LEU . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' HD22 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 11' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 7' ' ' TYR . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.834 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.609 ' CD1' HD22 ' A' ' 53' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 45' ' ' PHE . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.887 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.656 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.72 ' O ' HD13 ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 82' ' ' ILE . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.753 HG23 HG12 ' A' ' 76' ' ' ILE . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.961 HG22 ' HE2' ' A' ' 85' ' ' MET . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.774 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.961 ' HE2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 HG13 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' A' ' 91' ' ' GLU . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 90' ' ' ILE . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' ILE . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.793 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' HG11 ' A' ' 101' ' ' VAL . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 7' ' ' TYR . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.793 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.645 ' O ' HD23 ' A' ' 50' ' ' LEU . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.66 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.733 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.733 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.802 ' O ' HD13 ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.602 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.893 HG12 HG23 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.893 HG23 HG12 ' A' ' 76' ' ' ILE . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.823 HG23 HD13 ' A' ' 10' ' ' LEU . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.913 HD13 HG13 ' A' ' 93' ' ' VAL . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.766 ' HA ' HD11 ' A' ' 13' ' ' LEU . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.081 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.081 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 86' ' ' LEU . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.545 0.212 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.609 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.825 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.872 HG23 ' HB3' ' A' ' 84' ' ' LEU . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.902 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' N ' HD22 ' A' ' 27' ' ' LEU . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' HB2' HG11 ' A' ' 101' ' ' VAL . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.825 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.843 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' THR . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.889 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.753 ' O ' HD13 ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' HA ' ' HE3' ' A' ' 85' ' ' MET . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 45' ' ' PHE . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG13 ' HE1' ' A' ' 85' ' ' MET . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.938 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.953 HD13 HG13 ' A' ' 93' ' ' VAL . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 43' ' ' LEU . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.888 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' HG3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.0 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 82' ' ' ILE . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 46' ' ' ASN . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 55' ' ' THR . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.909 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.744 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.762 ' O ' HD13 ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.706 HG22 HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.571 ' HB3' HD22 ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.69 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.98 HG23 HG12 ' A' ' 76' ' ' ILE . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.898 HG13 ' CE ' ' A' ' 85' ' ' MET . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.898 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.95 HD13 HG13 ' A' ' 93' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 13' ' ' LEU . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG2' HG23 ' A' ' 90' ' ' ILE . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.087 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' HG21 ' A' ' 11' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 43' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.81 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.08 ' CE ' HG22 ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' A' ' 23' ' ' ASP . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB2' HG21 ' A' ' 19' ' ' ILE . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.064 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 11' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.908 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.781 ' CE1' HD22 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 50' ' ' LEU . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.748 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 84' ' ' LEU . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.917 HG12 HG23 ' A' ' 82' ' ' ILE . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.08 HG22 ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.742 HG13 ' HE1' ' A' ' 85' ' ' MET . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.561 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.742 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 93' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.784 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 90' ' ' ILE . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG23 HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HG2' HD11 ' A' ' 41' ' ' LEU . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 42' ' ' ILE . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.655 ' CB ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.923 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' CD1' HG23 ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.917 HG23 ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 23' ' ' ASP . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' N ' HD12 ' A' ' 27' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.655 HD13 ' CB ' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.729 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.786 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.81 HG12 HG23 ' A' ' 82' ' ' ILE . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.81 HG23 HG12 ' A' ' 76' ' ' ILE . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.836 HG22 HD21 ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.917 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 93' ' ' VAL . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' A' ' 90' ' ' ILE . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.056 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 41' ' ' LEU . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.626 HG11 ' HB2' ' A' ' 41' ' ' LEU . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.729 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.835 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.493 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.718 ' HG2' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.648 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.835 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CD1' HD13 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.005 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.005 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.713 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.869 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.785 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.636 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.936 HG12 HG23 ' A' ' 82' ' ' ILE . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 81' ' ' LEU . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.936 HG23 HG12 ' A' ' 76' ' ' ILE . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.757 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 93' ' ' VAL . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HA ' HD11 ' A' ' 13' ' ' LEU . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.066 ' O ' HG12 ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.066 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.757 HG13 HD23 ' A' ' 43' ' ' LEU . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.071 ' CE ' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 84' ' ' LEU . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' HB2' HG21 ' A' ' 94' ' ' VAL . 1.8 tp . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 27' ' ' LEU . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.04 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.678 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.711 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 7' ' ' TYR . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 55' ' ' THR . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.971 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.971 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.634 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.72 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.765 ' O ' HD13 ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.497 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.658 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.536 HG12 HG23 ' A' ' 82' ' ' ILE . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.071 HG22 ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.934 HD13 HG13 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HG2' HG23 ' A' ' 90' ' ' ILE . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.057 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.057 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.854 ' CE ' HG22 ' A' ' 82' ' ' ILE . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.93 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 38' ' ' VAL . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.807 ' CD2' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.585 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 16' ' ' ASP . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.724 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.06 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.722 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' VAL . 11.8 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.578 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 82' ' ' ILE . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' THR . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.857 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.704 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.857 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.704 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.574 ' OD1' HG21 ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.737 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.491 ' HG3' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.59 ' HB3' HD22 ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.808 ' CB ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.861 HG12 HG23 ' A' ' 82' ' ' ILE . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.861 HG23 HG12 ' A' ' 76' ' ' ILE . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.93 HG23 ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.898 HD11 HD21 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.811 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.925 ' CD1' HG13 ' A' ' 93' ' ' VAL . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.846 ' HG3' HG23 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 41' ' ' LEU . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.597 0.236 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.19 -61.58 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.18 154.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -81.36 64.76 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -164.35 103.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.377 1.048 . . . . 0.0 109.358 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.28 158.58 25.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.7 m-85 -125.1 -171.71 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.657 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -138.22 152.31 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.076 ' CE ' HG22 ' A' ' 82' ' ' ILE . 3.5 ttm -123.83 134.84 53.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.27 131.38 54.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 84' ' ' LEU . 53.3 t -105.82 126.22 61.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.838 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.2 OUTLIER -114.76 131.47 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -134.34 139.15 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -88.74 124.62 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.73 125.44 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.11 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.98 85.65 2.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.431 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 92.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.202 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -97.11 140.77 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.442 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 2.7 m-80 -63.77 -158.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -67.97 -9.34 44.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.37 -15.33 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.254 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -144.98 -71.3 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.947 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.5 mm-40 -161.2 100.22 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -99.63 -3.67 32.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.96 -31.5 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.078 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.53 148.69 25.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.225 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.31 74.41 0.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.663 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 5.2 97.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.434 1.084 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.39 120.59 49.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.3 -67.43 1.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.69 137.85 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.71 162.27 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 m170 58.03 63.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.53 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 1.6 tt0 -122.97 147.1 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 4.4 p90 -61.77 132.84 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.27 -39.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.66 162.31 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.25 138.35 53.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.7 mp -129.6 145.8 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.0 mm -88.4 119.43 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.41 150.88 37.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.89 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.659 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.3 t80 -92.87 128.73 38.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -116.53 162.06 18.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 96.4 t -75.57 -22.87 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.48 40.95 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -151.61 35.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 3.3 mm? -68.63 -42.69 77.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 1.4 m-20 -63.62 -49.01 74.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.53 -34.28 74.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.391 1.057 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.95 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.02 -38.68 72.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.05 -38.17 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.37 -46.13 74.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.372 1.045 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.95 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.95 -48.93 56.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 108.039 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.2 t80 -58.69 -36.84 74.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.61 -43.17 94.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -48.49 56.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.799 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -63.69 -32.1 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 40.6 t0 -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.878 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.54 -43.59 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.5 mt-10 -61.24 -32.88 72.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.731 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -88.9 -27.89 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 38.2 t -77.51 -30.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.59 -52.82 68.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 1.43 7.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.556 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.9 m-20 -99.52 144.25 28.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.61 63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.29 -159.43 31.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.418 1.073 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.781 ' O ' HD13 ' A' ' 90' ' ' ILE . 18.4 m170 -97.78 149.77 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 109.585 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.646 HG22 HD12 ' A' ' 90' ' ' ILE . 1.5 pt -138.71 139.92 40.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HD2' ' CB ' ' A' ' 85' ' ' MET . 0.8 OUTLIER -122.4 138.77 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -139.03 156.26 47.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.607 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.64 118.24 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 82' ' ' ILE . 2.9 mt -120.61 111.96 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -99.32 120.4 39.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -50.13 -28.04 6.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.95 -20.84 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 110.05 42.33 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.29 117.93 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.076 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.0 mp -121.6 129.59 75.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.813 HG13 ' HE1' ' A' ' 85' ' ' MET . 13.0 p -131.17 140.78 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -117.45 125.47 50.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.204 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.838 ' CG ' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -117.14 117.77 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.941 HD13 HG13 ' A' ' 93' ' ' VAL . 46.2 mt -128.8 136.49 50.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.98 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.2 tmtt? -70.91 -38.61 72.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG2' HG23 ' A' ' 90' ' ' ILE . 5.8 pm0 -62.49 -13.04 25.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.1 pt -126.11 31.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 16.3 tt0 -55.15 -24.97 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.66 -49.3 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -59.67 -33.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.2 -49.95 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.91 -34.16 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 5.8 mmtm -70.63 -29.15 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.38 -45.59 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -46.84 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.3 -35.43 77.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -65.58 -52.34 53.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 41' ' ' LEU . 70.9 t -58.39 -51.31 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -66.78 -24.04 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.12 -40.27 74.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.1 -32.94 50.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.556 ' H3 ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.501 0.191 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 165.37 42.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 89.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.3 -174.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.575 1.172 . . . . 0.0 109.883 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -60.66 118.78 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 HG23 ' CE ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -119.33 158.88 25.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' ILE . 24.5 m-85 -131.03 -167.3 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.652 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.49 153.21 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.834 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -117.98 134.32 55.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.72 127.67 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 84' ' ' LEU . 24.1 t -108.55 119.18 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.589 1.181 . . . . 0.0 109.207 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.3 OUTLIER -112.46 132.2 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 94' ' ' VAL . 2.2 tp -133.97 139.67 46.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 2.4 tm-20 -86.62 121.4 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.97 124.46 52.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.59 116.38 28.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 138.99 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.405 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 35.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 23' ' ' ASP . 28.6 mm -110.45 139.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.93 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -9.7 46.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.73 -17.96 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.201 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.657 ' HB2' HG21 ' A' ' 19' ' ' ILE . 6.7 t0 -147.12 -65.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' A' ' 27' ' ' LEU . 2.6 mp0 -155.8 103.62 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 110.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -37.27 84.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.91 126.64 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.244 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.82 84.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' HD22 ' A' ' 27' ' ' LEU . . . -165.99 -40.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.37 146.25 98.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.337 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.01 -47.0 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 169.8 17.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 0.809 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -102.89 158.75 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB2' HD12 ' A' ' 12' ' ' LEU . 11.9 p80 39.09 78.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.185 . . . . 0.0 109.674 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 2.7 mt-10 -131.4 149.6 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 3.4 p90 -62.34 134.11 56.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 11' ' ' VAL . 4.2 p -103.52 -36.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 163.15 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.57 137.01 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.7 mp -129.57 144.81 51.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.34 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 7' ' ' TYR . 16.0 mm -88.97 118.08 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.834 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.27 149.95 36.74 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 41.53 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.609 ' CD1' HD22 ' A' ' 53' ' ' LEU . 2.9 t80 -93.06 133.03 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.39 161.55 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.0 t -74.59 -19.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.84 38.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -155.42 35.82 0.37 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -70.47 -43.29 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.14 -48.21 71.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.05 -35.8 80.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 45' ' ' PHE . 2.0 tp -73.43 -38.64 65.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 2.0 m-80 -66.64 -35.44 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.89 -44.37 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.701 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.74 -43.09 76.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 107.977 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 46.3 t80 -69.47 -35.13 75.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 11.1 t70 -61.15 -43.95 98.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -49.44 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.701 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -63.39 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' PHE . 4.6 t70 -57.37 -39.79 76.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.887 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.45 -42.52 43.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.656 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.81 -28.97 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 49.1 t -77.14 -30.82 55.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.98 -52.98 68.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.92 1.51 7.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.596 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.76 143.59 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.09 62.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 90' ' ' ILE . . . 171.61 -158.72 29.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.72 ' O ' HD13 ' A' ' 90' ' ' ILE . 65.1 m-70 -100.33 149.28 23.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 0.706 . . . . 0.0 109.627 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -140.51 141.45 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -127.49 141.25 51.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -139.87 155.56 47.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -135.7 117.8 15.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.268 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 82' ' ' ILE . 2.6 mt -121.14 110.59 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -97.5 122.9 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -51.27 -26.97 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.098 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -21.53 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 111.29 42.48 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.34 116.67 17.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.753 HG23 HG12 ' A' ' 76' ' ' ILE . 2.0 mp -122.4 131.31 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.202 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.961 HG22 ' HE2' ' A' ' 85' ' ' MET . 7.6 p -132.01 144.42 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.774 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -123.49 123.0 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.628 1.205 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.961 ' HE2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -118.53 117.8 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 HG13 ' A' ' 93' ' ' VAL . 39.8 mt -127.37 144.49 51.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.48 170.37 16.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' A' ' 91' ' ' GLU . 14.8 tptp -72.32 -36.61 68.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 90' ' ' ILE . 12.9 pm0 -64.08 -12.53 39.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.93 30.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 17.7 tt0 -53.11 -25.14 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -46.44 80.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.0 p -61.11 -33.72 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.293 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.77 -49.59 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -71.06 -33.58 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -71.36 -28.26 63.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -76.31 -45.21 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -47.0 85.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.55 -37.44 82.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.3 -51.27 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 43.3 t -59.13 -50.59 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.87 -21.33 63.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.3 mm-40 -70.85 -39.57 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.619 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -89.36 -19.65 24.97 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CG ' ' OD1' ' A' ' 46' ' ' ASN . 12.1 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.454 0.168 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -77.25 169.53 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 68.4 166.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.378 1.049 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.68 81.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -161.4 108.29 1.42 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.33 159.18 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' ILE . 31.3 m-85 -131.22 -168.38 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.1 ptm180 -139.16 152.43 47.42 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.793 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -121.33 130.38 53.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.823 HD13 HG23 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -107.51 130.51 54.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 38' ' ' VAL . 3.4 p -103.39 120.67 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.0 134.54 52.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -133.49 140.59 47.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -87.16 117.57 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.32 127.44 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 17' ' ' THR . 2.8 t0 -110.85 117.08 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' ASP . 44.8 p 46.79 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.339 1.025 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -176.17 171.3 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.23 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 23.6 mm -104.14 147.2 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 8.0 p30 -65.22 -152.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -50.18 -21.07 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.9 mm-40 -59.01 -14.78 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 6.7 t0 -150.67 -66.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' ILE . 50.4 mm-40 -150.0 104.9 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -76.4 -23.73 54.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.25 79.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 142.46 29.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.327 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -79.68 73.09 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.2 -40.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 121.1 81.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.306 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.08 30.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.45 -36.21 4.94 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.78 169.33 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 142.55 36.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 46.56 71.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 8.8 tp10 -130.11 145.52 51.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.619 1.199 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 5.4 p90 -62.62 132.1 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.2 p -101.95 -34.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.05 161.51 22.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -126.83 138.68 53.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' HB2' HG11 ' A' ' 101' ' ' VAL . 5.0 mp -129.39 143.84 51.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 7' ' ' TYR . 17.0 mm -87.09 117.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.276 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.793 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -101.11 150.64 37.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.176 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.04 41.93 0.8 Allowed 'Trans proline' 0 C--N 1.358 1.048 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.5 t80 -93.62 128.25 39.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' OD1' ' CG ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -122.8 158.54 30.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.645 ' O ' HD23 ' A' ' 50' ' ' LEU . 12.3 t -72.26 -16.78 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -104.96 39.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.4 mt-10 -162.96 38.5 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 0.0 110.304 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 47' ' ' VAL . 3.8 mm? -70.96 -43.16 68.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.16 -47.28 74.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.86 -37.34 84.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.223 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -71.29 -41.29 70.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.351 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.28 -35.63 80.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.09 -43.34 53.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.743 ' CZ3' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -68.53 -43.24 77.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.171 . . . . 0.0 108.064 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.4 t80 -69.2 -38.21 78.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.86 -44.1 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -49.4 49.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.743 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -62.17 -31.31 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' PHE . 24.5 t0 -57.18 -39.8 76.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.49 -42.77 42.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.66 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.0 mt-10 -61.55 -32.35 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.733 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -89.06 -28.02 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 45.0 t -77.54 -30.51 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.595 1.185 . . . . 0.0 108.267 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.88 -52.86 68.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.733 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.86 0.89 8.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.6 m-20 -98.0 143.77 28.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.21 63.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.69 -158.81 30.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.802 ' O ' HD13 ' A' ' 90' ' ' ILE . 46.3 m80 -98.34 149.76 22.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.646 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 90' ' ' ILE . 1.7 pt -139.85 142.97 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.29 144.43 49.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -140.45 160.25 40.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.602 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -137.15 114.92 11.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.255 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.893 HG12 HG23 ' A' ' 82' ' ' ILE . 3.6 mt -120.54 113.09 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.17 120.34 35.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.0 m -50.22 -22.75 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 110.064 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.638 1.211 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 124.25 40.01 0.46 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.2 tp -133.9 126.08 29.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.893 HG23 HG12 ' A' ' 76' ' ' ILE . 2.3 mp -126.37 130.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.823 HG23 HD13 ' A' ' 10' ' ' LEU . 14.6 p -132.08 141.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -116.21 128.81 55.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -120.14 115.73 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.913 HD13 HG13 ' A' ' 93' ' ' VAL . 54.4 mt -129.18 145.31 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.54 170.35 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.766 ' HA ' HD11 ' A' ' 13' ' ' LEU . 4.1 tptm -70.02 -37.62 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.76 -12.4 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.081 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.1 pt -126.96 29.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.48 -24.8 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.53 -48.89 78.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.081 HG12 ' O ' ' A' ' 90' ' ' ILE . 15.0 p -60.29 -33.13 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.09 -50.08 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.92 -33.84 70.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 1.9 mttt -70.95 -28.18 64.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 86' ' ' LEU . 2.4 t -76.2 -45.66 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -58.19 -47.2 84.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.59 -36.44 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -63.32 -52.99 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 41' ' ' LEU . 78.1 t -58.67 -50.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -69.07 -21.35 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.288 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.1 mm-40 -70.65 -38.63 73.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.614 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -91.5 -17.46 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.493 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.61 -52.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 50.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -140.45 -176.07 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 6.6 m-80 -61.82 124.12 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 158.88 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.062 . . . . 0.0 110.442 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CZ ' ' HA3' ' A' ' 80' ' ' GLY . 24.9 m-85 -133.3 -175.01 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.609 ' HB3' HD13 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -131.04 151.7 51.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.266 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.825 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 ttt -119.82 133.43 55.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.52 135.49 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.872 HG23 ' HB3' ' A' ' 84' ' ' LEU . 4.4 p -110.7 134.93 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.902 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.23 132.42 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -133.73 140.01 46.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.218 . . . . 0.0 109.305 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 88' ' ' LYS . 5.4 pt-20 -88.03 136.25 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.222 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.06 126.07 51.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 1.1 t70 -106.94 117.1 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' ASP . 53.9 p 47.4 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 174.33 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 23' ' ' ASP . 29.3 mm -124.76 144.91 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 7.9 p30 -64.89 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -49.94 -21.34 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 20' ' ' ASN . 2.3 mm-40 -59.28 -14.2 10.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 19' ' ' ILE . 8.4 t0 -151.63 -65.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -150.17 102.17 3.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -76.6 -35.63 57.99 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -168.82 61.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.03 142.76 38.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' N ' HD22 ' A' ' 27' ' ' LEU . 8.8 mttt -79.49 96.91 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.46 -38.55 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.58 137.31 90.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.602 0.825 . . . . 0.0 109.302 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.43 -36.78 4.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 165.63 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 0.718 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mtt -80.85 125.57 30.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 m80 44.58 71.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -125.15 150.01 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 3.1 p90 -62.21 128.87 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.04 -34.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.61 161.93 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.2 pt-20 -123.43 141.51 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' HB2' HG11 ' A' ' 101' ' ' VAL . 2.7 mp -129.78 145.41 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 8' ' ' ARG . 17.3 mm -86.74 119.0 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.825 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -102.43 150.27 37.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.95 40.51 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.843 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.6 t80 -94.83 135.12 36.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.411 1.069 . . . . 0.0 110.997 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -123.47 161.7 24.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.539 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.1 t -74.19 -21.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -104.76 38.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 16.7 mt-10 -153.01 36.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -67.74 -43.39 80.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' THR . 72.3 m-20 -63.35 -49.07 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.77 -34.38 75.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -71.68 -39.17 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.11 -35.36 76.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.06 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -71.45 -45.89 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.68 -48.5 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 78.6 t80 -59.57 -37.51 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.9 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -48.64 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.29 -31.84 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -40.91 80.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.889 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.52 -42.64 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.64 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.92 -31.76 72.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.732 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.09 -28.98 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 42.7 t -77.32 -30.61 54.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.227 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -54.97 -53.42 61.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 0.88 8.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.426 1.751 . . . . 0.0 111.0 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 75.2 m-20 -98.98 144.22 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.13 63.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 170.77 -158.52 30.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.753 ' O ' HD13 ' A' ' 90' ' ' ILE . 36.6 m80 -96.39 150.05 21.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -145.2 145.98 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -131.39 147.45 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.241 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' HA ' ' HE3' ' A' ' 85' ' ' MET . 8.5 p90 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -140.78 120.61 13.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -120.07 115.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.426 1.078 . . . . 0.0 109.35 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -98.1 120.46 38.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -50.17 -25.57 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -61.16 -23.12 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.374 1.046 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.548 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 113.3 41.43 0.97 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.427 1.079 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -128.72 123.59 33.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 45' ' ' PHE . 4.1 mp -123.93 131.1 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG13 ' HE1' ' A' ' 85' ' ' MET . 11.2 p -131.64 145.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.349 1.031 . . . . 0.0 109.296 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -127.75 122.9 34.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.938 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.92 120.05 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.953 HD13 HG13 ' A' ' 93' ' ' VAL . 3.8 mt -128.89 145.82 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.8 165.21 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HB2' ' CG ' ' A' ' 14' ' ' GLU . 15.7 tptt -67.34 -32.79 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -66.5 -12.82 59.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.0 pt -126.71 29.82 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.47 -24.62 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.15 -47.2 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.7 p -60.75 -33.48 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -53.84 -50.21 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.1 mt-10 -71.5 -32.26 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 7.7 mmtt -72.24 -29.83 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.376 1.047 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -74.77 -45.47 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -59.23 -46.88 87.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.195 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.5 -35.16 77.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.94 -53.15 54.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.748 HG13 HD23 ' A' ' 43' ' ' LEU . 93.5 t -58.34 -51.67 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 9.5 pt-20 -66.45 -22.44 66.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.3 mm-40 -71.98 -39.76 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.391 1.057 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.56 -33.35 58.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.0 m-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.531 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p 39.17 35.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.075 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -172.73 161.36 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.38 -55.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 2.4 m-20 174.07 122.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.2 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.32 159.03 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.3 m-85 -132.98 -168.17 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -134.06 153.12 52.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.888 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -121.41 134.32 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.628 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -113.49 135.26 54.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 84' ' ' LEU . 2.5 t -108.05 133.73 52.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.349 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD11 ' HG2' ' A' ' 85' ' ' MET . 0.4 OUTLIER -122.37 135.71 54.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -133.91 140.72 46.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 3.9 tm-20 -86.98 117.33 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.17 130.88 53.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' THR . 67.1 t0 -115.84 116.59 28.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 16' ' ' ASP . 10.2 p -158.23 145.57 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.16 74.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 19.1 mm -116.64 131.42 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -65.1 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 4.5 tttm -58.54 -13.77 6.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.29 -15.46 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 33.8 t0 -153.08 -70.77 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' HD22 ' A' ' 27' ' ' LEU . 46.7 mm-40 -154.88 111.16 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -65.01 -33.82 76.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.395 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -178.6 76.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' HG3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -77.46 134.32 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.42 65.66 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.29 -43.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 148.73 98.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.424 0.72 . . . . 0.0 109.296 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 150.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.51 -39.35 1.93 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.96 167.46 13.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.446 ' C ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -98.41 151.49 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB2' HD12 ' A' ' 12' ' ' LEU . 4.7 p80 45.86 74.89 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.651 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -123.54 151.07 43.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.628 ' CD1' ' CD1' ' A' ' 10' ' ' LEU . 3.3 m-30 -63.07 135.59 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.0 p -101.53 -36.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.7 161.09 5.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -120.76 136.12 54.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.6 mp -130.39 144.76 51.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 7' ' ' TYR . 14.2 mm -86.46 124.88 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -109.82 150.06 40.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.93 41.47 0.74 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.402 1.738 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.702 ' CD2' HD11 ' A' ' 82' ' ' ILE . 2.1 t80 -92.7 132.33 37.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.091 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -122.66 158.64 29.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' O ' HD23 ' A' ' 50' ' ' LEU . 94.4 t -77.82 -15.16 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.097 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -107.0 39.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 46' ' ' ASN . 5.4 pt-20 -159.35 32.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.3 mm? -60.43 -36.68 78.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 6.9 m-20 -68.68 -49.18 61.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 55' ' ' THR . 2.4 tt0 -67.18 -36.35 81.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.3 tp -69.54 -40.77 76.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.92 -34.0 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -72.95 -45.28 58.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.909 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.57 -48.45 60.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.6 t80 -59.92 -38.82 83.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.77 -43.91 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -48.9 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.88 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 111.018 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 21.4 t70 -57.96 -40.72 81.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -75.75 -43.51 46.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.7 mt-10 -61.61 -33.12 73.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.744 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -89.07 -28.09 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.225 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 27.9 t -77.03 -30.51 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 108.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.67 -53.15 65.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 1.5 7.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.569 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.41 143.82 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.23 63.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.22 -158.73 30.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.762 ' O ' HD13 ' A' ' 90' ' ' ILE . 53.4 m170 -98.26 148.1 23.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 0.699 . . . . 0.0 109.525 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.706 HG22 HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -141.73 148.62 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -134.8 150.41 50.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.571 ' HB3' HD22 ' A' ' 84' ' ' LEU . 5.8 p90 -140.06 159.4 42.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.69 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -135.13 114.97 12.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG23 ' A' ' 82' ' ' ILE . 3.1 mt -120.22 110.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.57 119.94 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -48.02 -24.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 110.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -57.39 -31.65 66.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 120.99 40.82 0.54 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.25 115.8 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.98 HG23 HG12 ' A' ' 76' ' ' ILE . 1.2 mp -114.8 127.37 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.898 HG13 ' CE ' ' A' ' 85' ' ' MET . 9.4 p -132.25 144.92 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -124.98 130.45 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.898 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -123.06 124.41 43.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.95 HD13 HG13 ' A' ' 93' ' ' VAL . 6.7 mt -128.82 151.69 49.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.09 171.1 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 13' ' ' LEU . 6.5 tptm -71.55 -37.21 71.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.568 ' HG2' HG23 ' A' ' 90' ' ' ILE . 9.6 pm0 -63.28 -12.78 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.087 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.9 pt -127.18 29.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -53.01 -24.97 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 8.1 pt-20 -55.94 -47.03 78.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.087 HG12 ' O ' ' A' ' 90' ' ' ILE . 14.5 p -60.42 -33.56 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.11 -49.83 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.5 mt-10 -71.66 -35.68 70.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 3.5 mmtm -69.49 -28.69 66.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' HG21 ' A' ' 11' ' ' VAL . 2.4 t -75.46 -45.46 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.234 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -58.24 -47.13 84.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.368 1.043 . . . . 0.0 109.399 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.57 -35.47 77.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.244 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -63.19 -52.77 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 43' ' ' LEU . 79.4 t -57.86 -51.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.5 pt-20 -67.8 -22.52 65.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.7 mm-40 -71.0 -39.64 72.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.52 -31.32 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.3 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 t 157.65 -32.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -40.11 -70.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.386 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -175.36 150.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' SER . 6.0 m120 79.41 97.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.85 158.31 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.6 m-85 -124.02 -169.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.81 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -142.08 149.78 40.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.08 ' CE ' HG22 ' A' ' 82' ' ' ILE . 2.5 ttm -111.71 133.62 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.61 121.1 43.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.392 1.057 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.3 t -99.01 124.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD11 ' CG ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -118.74 132.27 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.348 1.03 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -133.49 117.41 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 116.92 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -114.24 154.1 28.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -111.08 117.79 34.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.622 1.201 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 40.7 p -94.48 -175.59 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.18 79.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' A' ' 23' ' ' ASP . 44.0 mm -89.27 135.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.97 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -8.91 41.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -15.25 12.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB2' HG21 ' A' ' 19' ' ' ILE . 18.9 t0 -149.46 -67.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.183 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.9 tt0 -161.44 102.62 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -100.04 -36.08 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.87 -38.32 64.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.064 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.69 149.05 42.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -70.79 71.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 15.5 89.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.866 ' H ' HD21 ' A' ' 27' ' ' LEU . 2.5 ttmt -115.43 120.03 37.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 18.4 Cg_endo -75.11 -28.94 8.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.68 -87.97 0.13 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 152.4 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 0.801 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 137.01 32.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' HB3' HD12 ' A' ' 12' ' ' LEU . 88.9 m-70 50.93 79.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -127.44 146.4 50.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -62.2 142.2 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 11' ' ' VAL . 8.0 p -101.19 -35.07 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -170.95 162.8 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 9' ' ' MET . 2.0 pm0 -117.55 137.63 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 101' ' ' VAL . 0.8 OUTLIER -130.13 141.2 50.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 ' HB3' ' A' ' 8' ' ' ARG . 8.3 mm -84.35 122.14 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.908 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.13 149.62 37.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 41.63 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.781 ' CE1' HD22 ' A' ' 53' ' ' LEU . 3.2 t80 -93.26 131.82 38.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.05 160.63 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 50' ' ' LEU . 17.2 t -74.17 -19.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.52 39.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 15.4 mt-10 -157.16 38.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 47' ' ' VAL . 4.2 mm? -70.55 -43.44 69.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.077 . . . . 0.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 55' ' ' THR . 38.6 m-20 -62.98 -48.99 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.54 -35.54 77.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -69.55 -39.71 77.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 0.0 109.237 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.38 -34.69 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -72.79 -45.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.73 -48.73 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 66.4 t80 -58.27 -39.63 79.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.01 -43.92 97.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -49.43 57.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.802 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.67 -31.43 70.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -57.29 -39.87 76.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -77.47 -43.15 33.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.3 mt-10 -61.92 -31.68 72.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.748 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -89.46 -28.34 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 43.7 t -77.3 -30.92 54.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.34 -52.79 68.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 1.24 7.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.566 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 74.1 m-20 -99.41 144.16 28.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.41 61.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.25 -158.97 30.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 90' ' ' ILE . 15.0 m-70 -95.81 151.47 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 0.0 109.564 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 90' ' ' ILE . 3.5 pt -141.42 144.53 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -133.79 141.02 47.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 84' ' ' LEU . 2.3 p90 -140.58 157.57 45.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -136.84 114.92 11.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.917 HG12 HG23 ' A' ' 82' ' ' ILE . 3.4 mt -115.72 118.7 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -101.58 119.85 39.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -48.12 -29.58 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.74 -22.91 5.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 111.55 42.43 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.37 1.044 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 81' ' ' LEU . 4.0 tp -131.57 119.49 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.08 HG22 ' CE ' ' A' ' 9' ' ' MET . 1.5 mp -116.26 129.35 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.742 HG13 ' HE1' ' A' ' 85' ' ' MET . 14.9 p -132.82 142.46 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.561 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -122.74 125.37 45.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.742 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -116.97 115.59 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 93' ' ' VAL . 7.2 mt -129.49 143.4 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.87 160.65 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.784 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.8 tptt -63.23 -34.55 77.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 90' ' ' ILE . 8.8 pm0 -64.31 -12.49 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.079 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.9 pt -127.64 30.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.188 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -52.39 -24.82 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.27 -48.9 73.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.079 HG12 ' O ' ' A' ' 90' ' ' ILE . 11.3 p -60.68 -33.68 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.377 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG23 HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -54.09 -49.87 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 94' ' ' VAL . 4.7 mt-10 -70.44 -34.59 72.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -70.49 -29.43 65.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.247 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t -75.09 -44.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HG2' HD11 ' A' ' 41' ' ' LEU . 5.0 mtpt -60.36 -46.84 88.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.23 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.21 -53.21 52.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 41' ' ' LEU . 87.2 t -58.23 -52.23 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.4 pt-20 -65.69 -23.73 66.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.3 mm-40 -70.4 -39.92 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -76.58 -34.64 58.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 2.5 m-80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' N ' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.385 0.136 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -63.58 1.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.576 1.173 . . . . 0.0 109.942 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 62.1 6.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.09 164.32 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 4.4 m120 -61.48 108.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.37 159.03 17.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.448 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 42' ' ' ILE . 20.0 m-85 -130.26 -168.51 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.655 ' CB ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -139.95 155.26 47.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.923 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -126.7 134.57 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' CD1' HG23 ' A' ' 83' ' ' VAL . 4.3 pp -113.36 137.25 51.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.917 HG23 ' HB3' ' A' ' 84' ' ' LEU . 2.8 p -108.64 123.3 64.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -108.05 132.28 53.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 1.085 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -133.23 137.49 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 8.8 pt-20 -87.48 148.11 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.78 148.34 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.396 1.06 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.12 133.66 55.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 171.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.612 1.195 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.83 53.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 mm -110.3 143.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -156.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -68.67 -9.5 50.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.1 -17.69 28.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.372 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 53.0 t0 -143.12 -66.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 23' ' ' ASP . 5.8 mm-40 -148.37 104.3 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -97.48 -36.62 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.76 -48.73 68.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD11 ' H ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -79.3 139.65 37.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.84 -76.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -165.9 98.11 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' H ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.05 114.92 65.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.442 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -35.01 3.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.605 1.845 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.25 -41.27 2.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 169.89 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.14 170.12 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -56.21 149.87 15.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.621 1.201 . . . . 0.0 109.64 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 10.9 pt-20 -120.67 143.26 48.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 29.6 p90 -58.42 132.66 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 11' ' ' VAL . 9.3 p -102.33 -39.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.19 163.55 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.358 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 143.63 49.38 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.9 mp -130.92 146.31 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.655 HD13 ' CB ' ' A' ' 8' ' ' ARG . 19.8 mm -85.23 127.05 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -110.77 150.0 41.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.564 ' HA ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.85 41.6 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.6 t80 -93.66 133.25 37.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -123.6 161.52 24.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 90.4 t -74.2 -20.4 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -107.11 40.18 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 14.6 mt-10 -154.18 37.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.6 mm? -69.07 -43.45 74.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 55' ' ' THR . 3.7 m-20 -62.65 -49.17 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -69.07 -34.24 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.9 OUTLIER -71.72 -38.99 70.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -69.23 -38.08 78.35 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -67.76 -46.08 73.06 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.412 1.07 . . . . 0.0 110.404 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.981 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.19 -48.27 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.952 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 74.3 t80 -59.7 -36.57 76.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.99 -44.1 93.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.56 48.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CZ ' ' ND2' ' A' ' 104' ' ' ASN . 2.1 m-85 -61.36 -31.56 71.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -58.06 -42.25 85.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.624 1.203 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.877 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -73.55 -42.47 61.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -61.77 -30.14 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.223 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.729 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -89.73 -29.42 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.444 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 31.8 m -77.31 -30.81 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -55.16 -53.52 60.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 1.02 8.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.588 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 76.2 m-20 -99.14 144.25 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.83 62.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.26 -158.87 29.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.493 1.121 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.786 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -95.58 149.33 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -142.89 148.87 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -137.29 144.04 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -139.92 159.32 42.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.389 1.056 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -139.29 117.82 12.16 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.658 1.223 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.81 HG12 HG23 ' A' ' 82' ' ' ILE . 7.8 mt -120.45 116.86 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 t -98.85 119.31 37.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -49.15 -26.86 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.073 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -56.8 -21.52 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 112.09 41.73 1.05 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 121.82 24.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 0.778 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.81 HG23 HG12 ' A' ' 76' ' ' ILE . 3.2 mp -121.6 127.48 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.836 HG22 HD21 ' A' ' 12' ' ' LEU . 13.0 p -131.04 143.45 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 109.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.917 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -120.72 127.0 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.751 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -118.58 116.39 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 93' ' ' VAL . 22.3 mt -128.79 150.56 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.66 170.11 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 11.1 tptm -73.69 -31.01 63.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' A' ' 90' ' ' ILE . 4.0 pm0 -69.14 -13.2 62.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.056 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.0 pt -126.45 31.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.66 -24.41 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.373 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 93' ' ' VAL . 19.4 pt-20 -55.21 -48.71 73.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.2 p -59.72 -33.45 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.391 1.057 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -54.07 -50.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.1 mt-10 -71.47 -35.47 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -69.88 -29.74 67.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.1 t -74.94 -46.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' ' 41' ' ' LEU . 5.5 mtpm? -57.74 -47.97 80.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -66.77 -35.29 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -63.79 -51.79 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.626 HG11 ' HB2' ' A' ' 41' ' ' LEU . 75.8 t -58.37 -51.68 68.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 6.6 pt-20 -67.53 -22.2 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 3.1 mm-40 -73.0 -36.72 67.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.545 ' ND2' ' CZ ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -80.46 -31.5 37.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.9 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.57 ' HB2' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.478 0.18 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER 164.38 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.959 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -116.63 -73.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 1.3 m 157.9 76.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.7 m-20 157.63 116.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -122.92 159.43 28.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 42' ' ' ILE . 28.5 m-85 -133.67 -168.28 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.729 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -136.67 156.94 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.835 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -120.81 132.69 55.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.83 135.53 51.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 84' ' ' LEU . 11.6 t -113.83 129.86 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -119.96 135.15 55.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -133.94 141.11 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.08 149.01 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.68 154.54 23.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.71 156.07 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.493 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 24.2 p -92.1 135.95 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.454 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -177.59 36.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mm -112.35 131.8 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 109.247 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -66.73 -162.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -3.55 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.53 -17.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -153.92 -69.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.718 ' HG2' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -149.64 111.27 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.193 . . . . 0.0 110.284 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.01 -9.59 31.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -112.15 -51.97 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -86.97 150.82 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.617 1.198 . . . . 0.0 109.324 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.648 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.8 tttm -133.81 92.19 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.93 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -66.35 112.63 9.74 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.41 11.94 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.422 1.748 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.79 -72.67 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -120.39 148.32 43.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 ptm -79.57 131.85 36.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB3' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER 69.54 73.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -110.84 152.97 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 47.9 p90 -62.39 125.81 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.95 -35.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -170.58 161.99 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -124.28 138.84 54.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.2 mp -129.75 146.5 51.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.2 mm -90.01 119.09 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.835 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.19 149.73 37.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 1' ' ' MET . 18.1 Cg_endo -74.92 41.3 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.556 1.819 . . . . 0.0 110.975 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CD1' HD13 ' A' ' 53' ' ' LEU . 4.9 t80 -94.54 130.33 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 HD21 ' N ' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -123.41 161.6 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 39.1 t -72.83 -20.0 18.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -108.25 40.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -155.69 38.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 2.3 mm? -71.15 -43.29 67.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -49.36 75.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.94 -34.73 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.005 HD12 ' CH2' ' A' ' 56' ' ' TRP . 0.8 OUTLIER -71.65 -40.23 69.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -66.77 -39.68 87.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.64 76.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.005 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -70.17 -48.39 57.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 107.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 36.1 t80 -59.94 -35.46 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.16 -43.87 93.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -48.64 52.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.68 -32.05 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' PHE . 2.5 t70 -58.37 -45.02 89.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -71.88 -43.79 64.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.631 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.8 mt-10 -62.32 -26.26 68.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.713 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -89.92 -31.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.87 -30.15 50.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 108.255 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.869 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -54.79 -53.63 58.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 0.75 8.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.576 ' CG ' ' O ' ' A' ' 64' ' ' ILE . 73.2 m-20 -98.66 144.32 28.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.27 63.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.46 -158.43 29.57 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.785 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.0 m170 -95.6 150.92 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.595 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -143.96 145.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 2.1 pttt -134.03 143.59 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 8.4 p90 -140.65 161.3 38.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.636 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -138.83 115.13 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.936 HG12 HG23 ' A' ' 82' ' ' ILE . 22.4 mt -120.77 116.78 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.76 121.95 42.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 m -52.66 -23.4 6.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.48 -29.56 66.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 7' ' ' TYR . . . 122.22 39.77 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 81' ' ' LEU . 3.8 tp -131.77 125.42 31.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.936 HG23 HG12 ' A' ' 76' ' ' ILE . 4.3 mp -127.83 127.07 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.332 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 12' ' ' LEU . 10.6 p -131.67 144.4 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -120.33 128.17 53.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.757 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -119.95 115.89 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 93' ' ' VAL . 29.0 mt -129.4 146.88 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.67 170.65 14.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.228 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HA ' HD11 ' A' ' 13' ' ' LEU . 3.7 tptt -73.32 -30.39 63.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.2 -13.14 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.066 ' O ' HG12 ' A' ' 93' ' ' VAL . 15.3 pt -128.32 31.71 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -53.6 -24.81 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.52 -49.14 73.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.288 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.066 HG12 ' O ' ' A' ' 90' ' ' ILE . 13.8 p -60.11 -32.89 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -53.58 -49.94 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 94' ' ' VAL . 5.0 mt-10 -70.39 -34.65 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' LYS . 2.3 mttm -70.68 -29.13 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.219 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.3 t -75.28 -45.32 41.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -59.06 -47.49 85.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -67.62 -35.47 78.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.613 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -62.32 -51.12 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.757 HG13 HD23 ' A' ' 43' ' ' LEU . 77.3 t -59.67 -51.72 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 5.3 pt-20 -67.8 -20.75 65.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 4.9 mm-40 -73.77 -38.8 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.7 OUTLIER -79.57 -29.72 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.6 m-80 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.57 ' N ' ' CB ' ' A' ' 44' ' ' PRO . 15.0 mmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.44 0.162 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LYS . 1.1 m -87.46 13.87 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -39.92 -64.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER 160.92 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 4' ' ' SER . 9.0 m-20 172.41 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.8 159.07 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' ILE . 21.0 m-85 -126.35 -169.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 42' ' ' ILE . 7.0 ptp85 -138.28 148.95 45.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.071 ' CE ' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -114.8 131.26 56.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -107.18 124.34 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 84' ' ' LEU . 98.0 t -104.35 121.76 56.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -109.62 132.08 54.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' HB2' HG21 ' A' ' 94' ' ' VAL . 1.8 tp -133.57 140.32 47.09 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.573 1.171 . . . . 0.0 109.27 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.03 126.47 34.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.21 126.79 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 123.55 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.4 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -92.22 63.07 4.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 23' ' ' ASP . 46.3 mm -105.5 138.78 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.49 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -9.2 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.7 -15.53 20.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . 11.3 t70 -141.3 -70.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 27' ' ' LEU . 7.7 mt-10 -160.76 100.61 1.29 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -99.43 -22.58 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -72.39 -38.31 68.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.04 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.6 146.37 38.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.678 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 68.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 17.05 94.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.73 ' N ' HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -113.03 123.94 32.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -34.75 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.73 -34.39 4.66 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.54 168.25 9.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.27 169.95 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -38.6 124.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -105.8 154.29 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 53.0 p90 -59.3 123.76 17.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -88.46 -43.64 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.93 163.12 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.8 mt-10 -118.75 136.64 53.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.711 ' HB2' HG11 ' A' ' 101' ' ' VAL . 4.3 mp -129.7 146.43 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 7' ' ' TYR . 13.8 mm -87.98 124.84 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -103.99 150.49 38.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.57 ' CB ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 41.8 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD1' HD13 ' A' ' 53' ' ' LEU . 2.2 t80 -94.78 130.34 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.54 161.74 20.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.52 ' CG2' ' OH ' ' A' ' 7' ' ' TYR . 94.6 t -68.58 -25.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.616 1.198 . . . . 0.0 109.256 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -104.86 41.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 20.2 mm-40 -150.38 30.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -66.79 -43.56 83.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.239 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 55' ' ' THR . 41.2 m-20 -63.5 -49.34 73.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.67 -34.65 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.971 HD12 ' CH2' ' A' ' 56' ' ' TRP . 1.0 OUTLIER -70.89 -39.13 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.71 -34.33 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -73.11 -45.6 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.448 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.971 ' CH2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.28 -48.87 60.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 80.1 t80 -59.13 -38.56 79.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -61.87 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.82 -48.93 51.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.82 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.95 -31.26 72.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PHE . 27.6 t0 -57.94 -40.35 80.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.865 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -76.94 -43.2 36.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.634 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 3.2 mt-10 -61.6 -30.95 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.72 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 1.1 mm -90.0 -28.54 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 26.9 t -77.48 -29.67 52.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.2 mp -57.05 -53.7 62.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.05 2.72 6.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.609 1.847 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 64' ' ' ILE . 1.3 m120 -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.98 58.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.91 -157.99 28.45 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.765 ' O ' HD13 ' A' ' 90' ' ' ILE . 41.6 m170 -96.32 148.37 22.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 0.766 . . . . 0.0 109.587 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.497 HG22 ' CD1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -140.99 138.68 34.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -126.44 143.93 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.04 156.47 46.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.658 ' HB3' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -131.48 119.07 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.536 HG12 HG23 ' A' ' 82' ' ' ILE . 2.1 mt -120.12 111.32 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.6 m -99.34 121.28 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -54.83 -19.36 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -68.82 -16.17 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 7' ' ' TYR . . . 107.9 44.36 1.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 119.11 20.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.071 HG22 ' CE ' ' A' ' 9' ' ' MET . 3.4 mp -125.69 128.65 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 12' ' ' LEU . 9.1 p -131.41 144.26 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -117.87 123.54 46.14 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.15 115.28 26.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.613 1.196 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.934 HD13 HG13 ' A' ' 93' ' ' VAL . 15.6 mt -130.14 142.99 50.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.95 170.27 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -72.96 -26.75 61.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 109.239 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HG2' HG23 ' A' ' 90' ' ' ILE . 1.8 pt-20 -72.95 -12.82 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.057 ' O ' HG12 ' A' ' 93' ' ' VAL . 16.8 pt -127.6 32.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.14 -24.6 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.22 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 11.1 pt-20 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.057 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -59.1 -33.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -55.23 -50.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 94' ' ' VAL . 6.6 mt-10 -72.7 -35.42 67.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -69.71 -28.82 66.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.4 t -75.76 -46.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -46.6 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -68.71 -36.0 77.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.336 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.82 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -64.74 -52.55 56.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 41' ' ' LEU . 72.5 t -58.7 -51.09 76.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -67.08 -22.39 65.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 5.1 mm-40 -72.16 -39.38 68.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.6 OUTLIER -80.56 -33.67 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 1.1 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HB2' ' CA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.547 0.213 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 6' ' ' THR . 2.1 t -54.43 -63.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.5 mttt -41.18 158.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.5 t 79.58 -69.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 2.2 m-20 174.8 125.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -116.74 159.0 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE1' ' HA3' ' A' ' 80' ' ' GLY . 39.9 m-85 -130.08 -175.54 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.482 1.113 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.94 149.76 51.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.854 ' CE ' HG22 ' A' ' 82' ' ' ILE . 1.7 ttt -117.2 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.93 ' HG ' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -105.74 130.44 53.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 38' ' ' VAL . 12.5 p -104.5 128.09 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.807 ' CD2' HG22 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -117.68 135.23 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.585 ' HB2' HG21 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -133.41 141.31 47.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -86.91 148.97 25.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' CB ' ' CB ' ' A' ' 31' ' ' PRO . 2.7 m-20 -110.02 137.59 47.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 t70 -110.43 153.85 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 16' ' ' ASP . 10.6 t 45.54 -161.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -86.91 149.96 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 23' ' ' ASP . 40.1 mm -96.87 136.22 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -157.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.78 -8.4 42.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.09 -20.22 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.724 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.0 t0 -142.38 -66.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.379 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.716 ' O ' HD12 ' A' ' 27' ' ' LEU . 2.6 tt0 -160.44 100.03 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.401 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -89.17 -40.71 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -51.66 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.06 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -59.06 151.75 21.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.722 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -32.18 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -170.12 54.41 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.821 ' H ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -114.88 120.49 37.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' CB ' ' CB ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -75.2 -25.5 11.51 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.478 1.778 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -102.63 0.47 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 160.46 22.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 0.739 . . . . 0.0 109.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.27 130.62 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER 50.61 73.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -124.21 153.39 41.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 15.7 p90 -62.36 124.35 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' VAL . 11.8 p -99.34 -31.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' CG ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -171.16 162.57 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.24 143.22 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.214 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.578 ' HB2' HG11 ' A' ' 101' ' ' VAL . 3.3 mp -130.19 145.94 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 8' ' ' ARG . 14.3 mm -88.42 119.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -107.43 151.98 41.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.496 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.95 43.12 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 82' ' ' ILE . 4.5 t80 -94.46 132.72 38.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -121.77 161.58 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 ' O ' HD23 ' A' ' 50' ' ' LEU . 45.3 t -73.66 -19.27 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.85 37.69 2.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.8 mt-10 -152.02 34.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 47' ' ' VAL . 2.9 mm? -70.07 -43.29 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.94 -48.33 74.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' THR . 2.0 tt0 -67.63 -34.95 77.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -72.99 -40.05 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 m-80 -65.06 -35.49 81.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -73.72 -43.73 58.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.628 ' CH2' ' CG ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -68.63 -46.15 69.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' ASP . 30.8 t80 -66.66 -34.83 78.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 12.2 t70 -60.7 -44.39 96.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -71.34 -50.85 28.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CE1' ' CZ3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -62.5 -31.33 72.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.092 . . . . 0.0 110.922 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' PHE . 13.0 t0 -57.9 -44.31 86.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.857 ' O ' HD13 ' A' ' 66' ' ' ILE . . . -70.42 -42.49 71.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 2.9 mt-10 -61.99 -27.34 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.704 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -90.43 -30.44 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -77.78 -29.28 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 108.384 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.857 HD13 ' O ' ' A' ' 62' ' ' ALA . 1.3 mp -56.43 -53.84 59.72 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.704 ' HD2' ' C ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 2.4 6.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.574 ' OD1' HG21 ' A' ' 93' ' ' VAL . 1.4 m120 -96.28 144.63 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 59.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 171.16 -158.11 29.29 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.737 ' O ' HD13 ' A' ' 90' ' ' ILE . 96.7 m-70 -96.55 146.52 24.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.691 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -141.59 140.67 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.404 1.065 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.491 ' HG3' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -136.65 151.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.59 ' HB3' HD22 ' A' ' 84' ' ' LEU . 7.5 p90 -139.11 162.38 35.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.808 ' CB ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -134.2 114.62 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.861 HG12 HG23 ' A' ' 82' ' ' ILE . 5.2 mt -120.99 111.56 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.6 119.84 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -48.53 -26.97 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -22.02 24.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 7' ' ' TYR . . . 112.62 41.33 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.565 1.166 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -131.89 124.02 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.336 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.861 HG23 HG12 ' A' ' 76' ' ' ILE . 1.7 mp -122.25 127.77 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.228 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.93 HG23 ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -132.4 144.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.342 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.898 HD11 HD21 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -123.22 131.27 53.61 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.811 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -122.74 117.0 24.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.925 ' CD1' HG13 ' A' ' 93' ' ' VAL . 16.8 mt -126.96 146.9 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 154.78 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.17 -29.42 67.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.846 ' HG3' HG23 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -68.89 -12.61 61.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 93' ' ' VAL . 17.8 pt -129.1 33.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.65 -23.15 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -57.03 -47.06 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.636 1.21 . . . . 0.0 110.283 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 90' ' ' ILE . 12.2 p -61.2 -33.26 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.658 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -52.93 -50.59 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 94' ' ' VAL . 7.6 mt-10 -71.9 -33.81 68.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.83 -28.96 65.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' VAL . 2.2 t -75.2 -45.01 42.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -59.51 -46.25 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -69.54 -36.44 76.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -61.13 -53.74 53.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 41' ' ' LEU . 84.7 t -60.35 -51.13 76.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -67.21 -21.02 65.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 2.6 mm-40 -71.52 -39.93 70.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.628 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -88.83 -18.81 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 stop_ save_