data_1wf1_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 1wf1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.405 ' N ' HG21 ' A' ' 37' ' ' THR . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 69' ' ' TYR . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 67' ' ' VAL . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 42' ' ' LYS . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.695 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 67' ' ' VAL . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' O ' ' CG2' ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.695 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.414 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 60' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' O ' ' OG ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ARG . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 94' ' ' ILE . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 33' ' ' GLY . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' CB ' HG21 ' A' ' 60' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ARG . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.599 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 92' ' ' LEU . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' CB ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.575 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' CB ' ' A' ' 42' ' ' LYS . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' ' 69' ' ' TYR . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.476 ' CE2' HG13 ' A' ' 67' ' ' VAL . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.575 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.587 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CB ' HG21 ' A' ' 60' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 42' ' ' LYS . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.509 ' O ' ' CG2' ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.547 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 92' ' ' LEU . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 30' ' ' VAL . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.461 ' O ' ' CG2' ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.582 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 12.0 m170 -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 92' ' ' LEU . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 64' ' ' TYR . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' CB ' HG22 ' A' ' 60' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 42' ' ' LYS . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 69' ' ' TYR . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' CE2' HG11 ' A' ' 67' ' ' VAL . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.581 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.537 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 92' ' ' LEU . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 61' ' ' HIS . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' CB ' HG23 ' A' ' 60' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 42' ' ' LYS . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 69' ' ' TYR . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG11 ' A' ' 67' ' ' VAL . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 17.3 m170 -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 94' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.8 t30 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 92' ' ' LEU . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 69' ' ' TYR . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.518 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.536 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 6.9 t30 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.573 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 33' ' ' GLY . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 60' ' ' VAL . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.512 ' O ' ' CG2' ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' CZ ' HG13 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 5.9 t30 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 33' ' ' GLY . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 63' ' ' GLY . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CB ' HG23 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' TYR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.551 HG11 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' HG11 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 71' ' ' ASN . 18.0 m170 -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' CB ' ' HE1' ' A' ' 96' ' ' MET . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE1' ' CB ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 94' ' ' ILE . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 66' ' ' PHE . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 37' ' ' THR . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CG ' HG22 ' A' ' 60' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 42' ' ' LYS . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.598 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' OE2' ' A' ' 46' ' ' GLU . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.463 HG22 ' CG ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' CG2' ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' PHE . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.598 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ARG . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.404 ' N ' HG23 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' N ' HG11 ' A' ' 30' ' ' VAL . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' A' ' 36' ' ' ASN . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 58' ' ' CYS . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' CE1' ' A' ' 49' ' ' PHE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 69' ' ' TYR . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.525 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CD2' ' CB ' ' A' ' 71' ' ' ASN . 18.2 m170 -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' ARG . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB1' ' CD2' ' A' ' 52' ' ' TYR . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.635 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.549 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 33' ' ' GLY . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 64' ' ' TYR . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HZ3' ' N ' ' A' ' 59' ' ' SER . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.58 ' N ' ' HZ3' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' HZ2' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.43 HG11 ' CE2' ' A' ' 69' ' ' TYR . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE2' HG11 ' A' ' 67' ' ' VAL . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ARG . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 82' ' ' GLU . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.599 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.508 ' O ' ' CG2' ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.551 HG11 ' CE2' ' A' ' 69' ' ' TYR . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' HG11 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.592 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 87' ' ' LEU . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 46' ' ' GLU . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' OE2' ' CB ' ' A' ' 58' ' ' CYS . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 67' ' ' VAL . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 61' ' ' HIS . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 60' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 49' ' ' PHE . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' ' 69' ' ' TYR . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 67' ' ' VAL . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' SER . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.568 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.4 t30 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.423 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.01 153.93 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -146.7 131.28 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.48 33.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.18 131.32 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -119.65 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.48 127.03 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -168.41 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.56 131.7 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.65 94.68 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -111.63 146.57 37.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.05 -62.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 65.25 168.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.61 83.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.3 p -157.77 84.02 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 t30 177.33 161.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t 62.39 138.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -65.81 171.62 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -165.48 162.94 19.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.45 63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -135.61 160.22 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.79 108.17 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -0.24 9.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.31 132.36 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 68.3 26.86 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -97.33 -21.3 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -48.51 -61.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m -128.09 99.06 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.405 ' N ' HG21 ' A' ' 37' ' ' THR . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 69' ' ' TYR . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 67' ' ' VAL . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -74.09 126.61 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.92 81.35 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.49 142.06 30.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.5 OUTLIER -104.52 141.99 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.01 77.88 3.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.75 152.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 161.54 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.69 166.14 34.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.17 -176.68 31.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.48 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 p -101.54 108.92 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -163.86 -56.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.75 163.91 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.73 169.91 16.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 119.54 0.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m 56.38 166.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -172.43 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 -159.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.36 -55.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 0.808 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -163.65 155.32 16.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.51 137.34 32.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.93 161.5 28.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 64.92 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 144.82 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 109.25 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 p -163.53 126.32 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.061 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -147.72 158.49 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -171.7 -47.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -47.15 -53.56 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.69 93.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -151.99 175.78 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m120 64.02 -176.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.57 105.65 55.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' SER . 18.5 Cg_endo -74.97 -4.13 14.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -48.33 -24.48 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' PRO . 1.3 m -99.98 -31.33 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.31 -23.45 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -43.65 -62.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m -130.45 99.01 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 42' ' ' LYS . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.695 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 67' ' ' VAL . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' O ' ' CG2' ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.695 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -70.84 119.8 15.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.33 66.49 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 4.1 mp0 -97.59 128.73 33.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.6 mttt 63.17 103.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 80.33 2.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.09 143.5 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -175.0 154.34 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.03 86.49 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.71 126.93 2.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.1 p -71.79 123.65 23.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 p -91.48 156.16 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -153.47 154.79 35.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.58 153.64 46.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.57 65.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 p -81.65 150.9 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t 60.73 152.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.74 93.83 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.87 146.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -112.64 163.68 14.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 135.2 49.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.08 137.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.99 73.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -152.93 163.83 39.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.71 174.86 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -143.82 85.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 61.72 154.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.0 t -89.94 118.49 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -125.37 -50.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.86 110.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 173.82 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.27 119.28 7.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.52 103.65 14.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -0.16 9.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -114.19 30.44 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 mm -96.75 -15.52 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -52.48 -59.57 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t -132.04 99.06 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 60' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' O ' ' OG ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ARG . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 94' ' ' ILE . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -73.04 127.42 32.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.54 83.24 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.72 116.53 63.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.71 154.48 41.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 85.47 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -175.58 -55.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.43 165.16 13.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -170.32 153.91 4.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.948 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.27 5.33 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -80.06 165.53 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.0 m -67.68 -59.66 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -135.18 145.19 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 168.39 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.37 -77.54 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -83.36 159.8 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -108.75 138.51 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 146.21 5.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tpp -165.56 144.96 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -80.35 126.19 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.76 142.91 33.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 tptt 60.81 60.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.28 112.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.22 153.8 33.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.62 150.87 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.31 159.91 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -156.27 142.93 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -118.52 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -160.34 -46.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -98.78 175.81 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.87 -64.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 53.72 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -104.78 106.51 55.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.1 62.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.7 p -89.12 -34.87 16.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.65 -24.18 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.29 -64.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -130.98 99.16 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 33' ' ' GLY . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' CB ' HG21 ' A' ' 60' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 94' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ARG . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -73.99 131.18 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.27 57.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.9 138.04 32.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 147.54 10.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.86 5.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.9 98.75 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.76 -56.06 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.3 p -47.09 141.57 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.83 153.3 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.39 8.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 118.99 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -157.22 151.15 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -115.22 104.49 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 92.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 96.95 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -115.6 83.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.94 155.32 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.17 141.55 15.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 0.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -94.07 -61.2 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp 64.0 146.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 119.68 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -156.83 101.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -156.0 126.79 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.99 141.61 38.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 99' ' ' GLU . 33.8 p -130.04 115.24 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -163.38 147.97 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -105.19 171.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -116.09 -45.71 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -179.93 164.85 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt 57.22 92.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.66 109.43 57.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -56.95 -19.72 19.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 m -105.28 -39.59 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 mm -61.11 -29.34 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.13 -56.98 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -134.86 98.94 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.599 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 92' ' ' LEU . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' CB ' HG23 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.575 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' CB ' ' A' ' 42' ' ' LYS . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' ' 69' ' ' TYR . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.476 ' CE2' HG13 ' A' ' 67' ' ' VAL . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.575 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -64.79 120.34 12.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.11 -52.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 15' ' ' SER . 1.7 pt-20 -79.67 116.27 59.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -140.19 154.03 69.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.32 127.86 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 43.8 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 m -122.68 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.14 157.13 28.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 m 52.44 85.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.8 108.5 10.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -143.89 158.84 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -128.13 156.67 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 169.3 8.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.0 166.8 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.38 -110.59 1.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.04 168.41 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.4 p -145.23 159.48 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.64 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 pttt 45.59 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.71 167.75 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.11 147.34 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.66 158.04 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 164.39 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -146.54 -57.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.76 132.21 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -159.83 -44.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.91 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -155.86 106.78 2.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -91.67 100.67 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 103.7 14.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.76 20.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.79 63.95 3.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p 171.61 -34.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.6 mm -60.09 -39.18 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -39.97 -67.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -133.15 99.48 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.587 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CB ' HG21 ' A' ' 60' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 42' ' ' LYS . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.509 ' O ' ' CG2' ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.547 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.42 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -102.13 85.85 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 1.6 tp10 -107.79 134.4 20.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.259 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 99' ' ' GLU . 18.3 Cg_endo -75.03 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.67 144.6 1.33 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.48 43.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 155.31 31.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.05 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -102.08 161.76 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -40.6 156.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 89.05 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.67 112.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.71 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.15 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -163.15 81.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.35 -141.37 4.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -145.97 148.06 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 110.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.56 -152.97 11.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.31 96.37 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 p -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 169.61 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.82 91.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.93 89.44 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -81.97 92.36 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.61 84.52 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -145.77 84.76 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -56.33 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -121.19 137.16 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 p -82.12 72.43 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -86.35 98.31 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -67.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 p30 177.71 125.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -105.56 129.93 23.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . 18.2 Cg_endo -75.05 0.83 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -46.13 -39.27 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.406 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 55.9 m -78.28 -30.66 48.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' PRO . 8.4 mm -70.96 -32.29 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' ILE . 24.0 t30 -40.2 -63.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -139.69 99.21 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 92' ' ' LEU . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.27 -68.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.86 84.29 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.43 127.78 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 112.27 49.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.23 21.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.63 150.28 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 61.07 125.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.96 119.93 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.48 153.31 6.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.1 p -155.24 171.64 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -67.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -86.79 158.88 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.957 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 p -97.53 165.61 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 110.63 2.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -94.98 169.03 10.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.43 167.02 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 86.12 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttp -109.03 87.27 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 p -121.4 148.82 43.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.28 116.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -136.37 98.26 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.94 168.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.87 118.14 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.19 150.28 9.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -43.93 -35.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -179.24 -64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.8 t 50.76 74.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -33.5 64.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 55.79 74.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.33 153.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -56.32 163.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.19 109.44 44.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.55 10.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -28.31 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.6 m -90.63 -24.86 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -73.66 -27.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -52.42 -42.88 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -142.11 98.9 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 30' ' ' VAL . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' O ' ' CG2' ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.582 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 12.0 m170 -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.21 -50.48 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.65 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -96.32 110.73 53.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.41 117.31 47.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.49 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.54 106.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 t -45.49 144.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.55 -158.16 7.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 107.41 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER 39.48 83.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.45 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -86.26 126.05 34.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 140.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 121.77 2.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -173.22 128.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -166.41 138.89 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.26 179.1 19.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.43 165.46 36.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -141.96 105.0 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tp -83.99 154.28 23.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -113.03 137.72 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.86 173.37 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -166.71 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.01 167.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.32 130.99 31.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -166.05 102.62 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.98 137.68 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.69 60.69 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -58.43 5.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -162.85 86.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -152.69 162.23 41.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.56 108.56 58.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -2.52 12.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -51.79 -54.99 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.0 p -64.15 -37.51 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.8 mm -61.23 -30.63 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.7 t-20 -39.85 -57.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.52 98.96 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.589 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 92' ' ' LEU . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 64' ' ' TYR . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' CB ' HG22 ' A' ' 60' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 42' ' ' LYS . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 69' ' ' TYR . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' CE2' HG11 ' A' ' 67' ' ' VAL . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.581 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -63.85 119.88 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.25 -56.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.25 114.35 41.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.0 162.68 19.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' ARG . 18.5 Cg_endo -75.0 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.57 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 65.64 163.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -108.55 133.04 53.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.04 163.93 15.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.81 37.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -151.8 134.56 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.12 121.95 40.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.83 148.03 48.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -161.5 99.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 114.68 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.18 97.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -149.55 119.11 6.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.23 159.35 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mtm -135.56 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -149.31 91.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.33 172.6 7.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.29 132.06 16.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.42 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.96 119.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.62 146.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -92.21 -56.36 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 177.46 137.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t 57.33 99.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -68.56 135.55 51.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -103.95 -47.64 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -177.71 133.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 p30 178.03 138.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.28 109.67 63.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -5.72 17.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 138.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER 69.05 -58.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.9 mm -39.56 -30.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' SER . 64.4 t30 -39.84 -43.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t -156.96 99.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.537 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 92' ' ' LEU . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 61' ' ' HIS . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' CB ' HG23 ' A' ' 60' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 42' ' ' LYS . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 69' ' ' TYR . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG11 ' A' ' 67' ' ' VAL . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 17.3 m170 -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 94' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.8 t30 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -74.89 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.19 77.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.97 137.2 19.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 68.1 105.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.9 t70 46.86 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -66.96 107.76 2.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.7 m -56.77 -59.76 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.92 -147.7 38.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.95 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t -136.78 -57.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 118.67 34.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -153.89 158.16 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -173.56 159.99 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 114.72 1.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -161.17 119.2 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.56 149.63 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 152.75 18.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.16 92.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.77 124.64 14.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 167.53 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 154.47 41.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.7 -66.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.93 161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.75 158.32 39.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.0 p -51.92 171.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.3 153.45 44.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.72 134.3 65.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.06 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.43 171.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -48.8 123.36 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -128.82 117.6 21.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.73 110.15 56.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -3.88 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -25.49 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.2 p -98.22 -35.37 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 mm -62.35 -23.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -40.76 -49.25 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 99.67 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 92' ' ' LEU . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 69' ' ' TYR . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.518 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.536 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 6.9 t30 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -75.1 125.85 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.48 -56.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -80.14 125.31 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 154.65 51.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.0 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -171.12 128.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.04 139.26 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.1 p -138.56 139.37 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.78 127.09 3.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.71 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.31 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 101.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 53.28 88.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 110.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.19 121.53 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.93 66.32 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.83 138.97 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.54 176.07 16.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ttm -172.35 116.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 0.727 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -157.18 159.37 37.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.97 146.79 37.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.32 -179.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.92 128.42 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.7 126.89 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 157.41 34.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 141.27 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -127.02 141.12 51.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.7 t -88.05 81.52 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 p -145.67 82.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 102.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.62 69.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -176.85 164.12 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.22 110.26 57.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -9.06 20.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.17 127.86 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 77.53 -53.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.8 mm -40.23 -30.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 25' ' ' SER . 3.2 t-20 -39.93 -60.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m -134.45 99.71 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.573 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 33' ' ' GLY . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 60' ' ' VAL . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.512 ' O ' ' CG2' ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' CZ ' HG13 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 5.9 t30 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.43 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.68 -95.0 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 114.38 43.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.24 113.36 1.84 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' PRO . 30.8 m-20 61.01 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -54.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.03 80.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.07 -145.37 12.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.69 15.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 p -134.1 152.4 51.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -0.74 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -103.45 112.43 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -42.53 138.27 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.5 118.74 1.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -110.72 143.99 40.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.9 80.94 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.77 72.4 0.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.04 -55.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -142.66 85.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.71 -64.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 67.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt 71.59 -66.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.45 163.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 44.88 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -102.65 93.18 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 61.1 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.12 141.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -143.02 126.14 16.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -120.79 134.68 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.0 147.77 24.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.27 103.61 13.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.7 mttt -56.01 135.11 52.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER 85.69 -46.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -53.37 -24.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -43.06 -50.68 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t -154.99 99.06 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 33' ' ' GLY . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 63' ' ' GLY . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CB ' HG23 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' TYR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.551 HG11 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' HG11 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.554 ' CD2' ' HB3' ' A' ' 71' ' ' ASN . 18.0 m170 -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.467 ' CB ' ' HE1' ' A' ' 96' ' ' MET . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE1' ' CB ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . 54.97 -89.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 96' ' ' MET . . . 82.63 -70.89 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.29 120.1 78.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -147.64 159.63 40.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -172.11 132.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -112.74 141.14 46.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -160.3 145.23 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.54 -135.64 7.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 89.88 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.6 p -154.91 95.93 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.94 142.1 38.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.62 142.39 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 163.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -99.1 0.19 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.24 168.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.57 151.04 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 120.08 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.07 103.76 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -107.36 88.94 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 162.87 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.16 130.49 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 165.4 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -57.65 122.89 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.02 128.7 28.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.26 84.17 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -60.15 101.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.86 129.87 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 120.45 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -137.92 153.17 49.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -43.34 -62.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.2 103.59 15.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.58 11.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.0 mptt -60.21 120.0 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.2 p 88.95 -22.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.81 -23.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.34 -62.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -129.78 99.07 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 94' ' ' ILE . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 66' ' ' PHE . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 37' ' ' THR . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CG ' HG22 ' A' ' 60' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 42' ' ' LYS . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.598 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' OE2' ' A' ' 46' ' ' GLU . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.463 HG22 ' CG ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' CG2' ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' PHE . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.598 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ARG . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' N ' HG23 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -66.12 -54.17 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.47 74.28 1.97 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.43 122.38 72.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 pttt -154.03 94.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 70.43 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.748 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 3.0 p30 158.74 162.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -104.91 -56.95 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t 47.02 82.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.86 178.73 26.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.37 156.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.0 t 57.03 87.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -145.22 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.39 152.8 12.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.75 110.16 2.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -175.63 114.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -75.6 143.48 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.53 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.3 151.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.27 170.34 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.25 -52.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 61.35 -175.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.79 121.19 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.89 64.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.28 154.57 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -173.48 133.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.7 134.09 20.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.37 92.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 p -135.18 173.45 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.42 94.42 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.53 84.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -113.99 116.19 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -99.83 110.35 58.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -56.21 -28.22 57.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.25 -36.37 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.17 -49.9 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t -150.55 99.64 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' N ' HG11 ' A' ' 30' ' ' VAL . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' A' ' 36' ' ' ASN . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 87' ' ' LEU . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 58' ' ' CYS . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' CE1' ' A' ' 49' ' ' PHE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 69' ' ' TYR . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.525 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CD2' ' CB ' ' A' ' 71' ' ' ASN . 18.2 m170 -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' ARG . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB1' ' CD2' ' A' ' 52' ' ' TYR . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.635 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.46 -53.79 46.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.28 72.83 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.71 118.27 71.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -54.57 154.04 9.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.32 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -105.29 141.24 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 15.1 ttm105 -98.53 104.6 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.22 144.97 22.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.16 121.66 2.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 59.9 5.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.12 126.23 52.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.6 t -163.64 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -123.77 169.94 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -131.06 138.23 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 74.86 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.83 80.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -128.51 122.26 30.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.14 -146.86 12.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mtt 60.48 112.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -40.48 124.87 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.04 140.81 17.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -51.14 143.23 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -122.98 166.71 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.46 63.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.18 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 152.58 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -162.31 155.26 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.42 125.97 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -91.23 131.72 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -55.98 160.18 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.37 106.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.73 159.84 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 103.44 51.16 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.77 19.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -28.4 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.6 m -87.89 -32.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.4 -29.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.63 -58.54 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -133.28 98.8 4.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.549 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 33' ' ' GLY . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 64' ' ' TYR . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HZ3' ' N ' ' A' ' 59' ' ' SER . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.58 ' N ' ' HZ3' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' HZ2' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 HG11 ' CE2' ' A' ' 69' ' ' TYR . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE2' HG11 ' A' ' 67' ' ' VAL . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ARG . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 82' ' ' GLU . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 29' ' ' ARG . . . -54.66 -50.2 68.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.68 83.1 0.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.67 125.75 70.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -99.75 118.54 61.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.07 18.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -102.22 110.39 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -158.44 101.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.24 -59.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.46 169.46 30.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -77.71 157.13 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.16 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.069 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -87.3 103.12 15.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -125.81 168.59 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -133.81 1.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -94.46 83.97 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 132.71 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 178.27 15.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -108.23 -56.9 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.52 96.8 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -115.71 139.46 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 57.23 106.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.83 165.39 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.17 118.12 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.62 138.16 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -68.69 133.08 47.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.44 179.22 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -47.96 166.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.2 p -71.96 -44.07 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 176.51 157.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -145.51 148.24 33.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.45 86.01 7.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.07 103.64 12.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.86 19.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.62 -31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -84.94 -37.51 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.17 -37.7 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.08 -60.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -137.97 99.07 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.599 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.508 ' O ' ' CG2' ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.551 HG11 ' CE2' ' A' ' 69' ' ' TYR . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' HG11 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.5 -54.9 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.82 56.93 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 63.9 tt0 -116.16 132.07 23.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 99' ' ' GLU . 18.4 Cg_endo -75.01 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 114.78 1.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.44 5.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.38 118.45 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 151.87 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -141.48 121.93 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.37 41.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.22 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.1 100.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -163.69 146.54 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.29 109.23 12.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.61 -57.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.84 150.36 6.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -152.72 91.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 m -59.13 160.36 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.43 141.9 9.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -137.19 151.87 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.44 109.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.76 81.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.98 165.54 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.36 143.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -163.11 127.6 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.2 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.92 -58.61 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.87 129.96 41.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.92 176.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -134.65 154.42 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -120.38 -50.17 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -63.08 170.83 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 57.17 175.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.95 107.13 55.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -59.34 -21.45 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 m -101.39 -36.61 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 mm -59.28 -40.62 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -40.73 -64.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m -130.6 99.22 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.592 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 87' ' ' LEU . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 46' ' ' GLU . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' OE2' ' CB ' ' A' ' 58' ' ' CYS . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.45 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.2 94.04 0.8 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -136.45 133.26 19.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.414 1.744 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -124.12 144.03 44.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.57 24.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -137.33 -61.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -132.27 96.98 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -66.83 -54.96 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.41 177.15 23.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 73.44 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.32 88.26 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m 60.04 151.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -120.79 165.44 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -47.21 105.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.17 -100.47 1.49 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -148.68 100.32 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -161.97 124.22 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 -107.44 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 ptm -99.39 156.96 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.16 141.42 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.96 153.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 157.46 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 142.78 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 61.13 93.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.48 169.61 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -132.43 80.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -99.31 161.5 13.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.75 58.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -133.07 -51.94 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.11 90.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.4 -55.9 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.69 113.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.26 104.15 16.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.25 -38.27 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 49.2 m -83.26 -26.06 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 mm -69.93 -23.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -44.19 -42.49 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t -157.52 102.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 67' ' ' VAL . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 61' ' ' HIS . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 60' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 49' ' ' PHE . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' ' CG1' ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' ' 69' ' ' TYR . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 25' ' ' SER . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 67' ' ' VAL . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' SER . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.568 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.4 t30 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.423 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . -50.97 -62.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.35 90.95 1.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.48 126.45 28.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.572 1.827 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -44.03 102.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.82 19.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.99 143.53 22.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 179.54 146.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.14 157.41 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.33 154.33 18.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.54 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t 59.3 103.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t 50.04 90.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.19 165.79 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -167.74 153.5 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 -131.48 6.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 178.16 124.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -105.22 136.73 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.22 77.97 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.09 137.93 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.97 148.71 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.39 167.19 21.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.32 139.53 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.25 140.03 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -137.46 92.34 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.45 163.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -65.32 106.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -122.54 117.72 26.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -76.26 88.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -116.46 129.36 56.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.18 114.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.29 103.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.92 103.67 48.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' SER . 18.4 Cg_endo -74.96 -2.29 12.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' SER . 10.7 mmtt -67.32 74.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER 160.44 -38.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.15 -26.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -40.62 -49.67 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -154.75 99.68 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 94' ' ' ILE . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' CG2' ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 87' ' ' LEU . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' ARG . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 29' ' ' ARG . . . -71.06 127.46 32.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.78 57.58 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -94.25 128.95 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -81.18 125.77 78.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.5 t70 72.86 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 103.84 13.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.2 p -140.87 104.17 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.61 -172.33 48.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.26 2.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.7 m -103.17 111.45 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 79' ' ' VAL . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 37' ' ' THR . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 45' ' ' VAL . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' HG21 ' A' ' 55' ' ' VAL . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.777 ' O ' HG21 ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG23 ' CD1' ' A' ' 32' ' ' ILE . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.521 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 30' ' ' VAL . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' HD21 ' A' ' 92' ' ' LEU . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.466 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 79' ' ' VAL . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.744 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HG ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.848 ' O ' HG21 ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 30' ' ' VAL . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HB3' HD21 ' A' ' 92' ' ' LEU . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 57.0 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 87' ' ' LEU . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 92' ' ' LEU . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.797 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.523 ' SG ' HG22 ' A' ' 67' ' ' VAL . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.797 ' O ' HG21 ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 30' ' ' VAL . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 35' ' ' LEU . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.533 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 79' ' ' VAL . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 37' ' ' THR . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 35' ' ' LEU . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.779 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.537 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.537 ' HB2' HG21 ' A' ' 55' ' ' VAL . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 37' ' ' THR . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 37' ' ' THR . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 48' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 35' ' ' LEU . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 79' ' ' VAL . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 37' ' ' THR . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 45' ' ' VAL . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' HB3' HG21 ' A' ' 55' ' ' VAL . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.592 ' O ' HG21 ' A' ' 37' ' ' THR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 32' ' ' ILE . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.595 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.543 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 79' ' ' VAL . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.58 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' THR . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 45' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.76 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 45' ' ' VAL . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.85 ' O ' HG21 ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 32' ' ' ILE . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.525 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 6.1 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 79' ' ' VAL . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.908 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' HG22 ' A' ' 55' ' ' VAL . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.908 ' O ' HG21 ' A' ' 37' ' ' THR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.513 ' O ' HG21 ' A' ' 37' ' ' THR . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 30' ' ' VAL . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 79' ' ' VAL . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.515 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 79' ' ' VAL . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 37' ' ' THR . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 35' ' ' LEU . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 HD13 ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.725 HG22 ' OE2' ' A' ' 82' ' ' GLU . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.408 HG21 ' CA ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.696 ' O ' HG21 ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' CYS . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 30' ' ' VAL . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' HG22 ' A' ' 48' ' ' ILE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.625 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 79' ' ' VAL . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 37' ' ' THR . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 35' ' ' LEU . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.613 ' HB2' HG21 ' A' ' 55' ' ' VAL . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' HG21 ' A' ' 37' ' ' THR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' ILE . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.557 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 37' ' ' THR . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 35' ' ' LEU . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.792 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 45' ' ' VAL . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB2' HG21 ' A' ' 55' ' ' VAL . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.503 ' H ' HG21 ' A' ' 37' ' ' THR . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 30' ' ' VAL . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.646 ' OE2' HG22 ' A' ' 48' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 28.5 t-20 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.778 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 79' ' ' VAL . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.906 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' VAL . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.906 ' O ' HG21 ' A' ' 37' ' ' THR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 32' ' ' ILE . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.517 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 30' ' ' VAL . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.73 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.0 t-20 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 57.4 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.552 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HB3' HG23 ' A' ' 37' ' ' THR . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.79 HG21 ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 42' ' ' LYS . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.42 HD13 HH22 ' A' ' 85' ' ' ARG . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.79 ' O ' HG21 ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 21.0 t-20 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.475 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 79' ' ' VAL . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 37' ' ' THR . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 35' ' ' LEU . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.683 ' HB2' HG21 ' A' ' 55' ' ' VAL . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.532 ' O ' HG21 ' A' ' 37' ' ' THR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.545 ' N ' HG21 ' A' ' 37' ' ' THR . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.718 HG12 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.718 ' CE2' HG12 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.481 ' HB3' ' CG ' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.481 ' CG ' ' HB3' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.932 HG21 ' HG2' ' A' ' 96' ' ' MET . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.932 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 79' ' ' VAL . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.517 ' CG2' HD22 ' A' ' 35' ' ' LEU . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD22 ' CG2' ' A' ' 32' ' ' ILE . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.61 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.4 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.746 ' O ' HG21 ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.695 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.695 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 35' ' ' LEU . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.481 HD12 ' CB ' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 HG22 ' A' ' 79' ' ' VAL . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 45' ' ' VAL . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.567 ' O ' HG21 ' A' ' 37' ' ' THR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 32' ' ' ILE . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ALA . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.523 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.722 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 37' ' ' THR . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' LEU . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' HB ' ' A' ' 45' ' ' VAL . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HZ3' HG23 ' A' ' 60' ' ' VAL . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.742 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.622 ' N ' ' HZ1' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG23 ' HZ3' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 37' ' ' THR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 32' ' ' ILE . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 35' ' ' LEU . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 30' ' ' VAL . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 79' ' ' VAL . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 92' ' ' LEU . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.978 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 55' ' ' VAL . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.546 HG22 ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 67' ' ' VAL . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.978 ' O ' HG21 ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 32' ' ' ILE . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG12 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 6.5 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.444 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 79' ' ' VAL . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.839 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 45' ' ' VAL . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' OE1' HG21 ' A' ' 55' ' ' VAL . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.413 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.839 ' O ' HG21 ' A' ' 37' ' ' THR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.586 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 67' ' ' VAL . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.531 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 97' ' ' ALA . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 79' ' ' VAL . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 37' ' ' THR . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' LEU . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 45' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' VAL . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 32' ' ' ILE . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.96 ' SG ' HG13 ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' H ' HG21 ' A' ' 37' ' ' THR . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.96 HG13 ' SG ' ' A' ' 58' ' ' CYS . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' CG ' ' HB3' ' A' ' 56' ' ' ALA . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 30' ' ' VAL . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t-20 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.447 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 79' ' ' VAL . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.693 HG21 ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.693 ' O ' HG21 ' A' ' 37' ' ' THR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.762 HG23 ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 30' ' ' VAL . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.408 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.01 153.93 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -146.7 131.28 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.48 33.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.18 131.32 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -119.65 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.48 127.03 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -168.41 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.56 131.7 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.65 94.68 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -111.63 146.57 37.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.05 -62.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 65.25 168.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.61 83.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.3 p -157.77 84.02 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.33 161.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t 62.39 138.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -65.81 171.62 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -165.48 162.94 19.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.45 63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -135.61 160.22 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.79 108.17 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -0.24 9.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.31 132.36 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 68.3 26.86 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -97.33 -21.3 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -48.51 -61.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m -128.09 99.06 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 79' ' ' VAL . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 37' ' ' THR . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 45' ' ' VAL . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' HG21 ' A' ' 55' ' ' VAL . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.777 ' O ' HG21 ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG23 ' CD1' ' A' ' 32' ' ' ILE . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.521 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 30' ' ' VAL . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' HD21 ' A' ' 92' ' ' LEU . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.466 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -74.09 126.61 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.92 81.35 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.49 142.06 30.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.5 OUTLIER -104.52 141.99 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.01 77.88 3.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.75 152.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 161.54 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.69 166.14 34.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.17 -176.68 31.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.48 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 p -101.54 108.92 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -163.86 -56.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.75 163.91 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.73 169.91 16.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 119.54 0.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m 56.38 166.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -172.43 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 -159.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.36 -55.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 0.808 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -163.65 155.32 16.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -93.51 137.34 32.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -161.93 161.5 28.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 64.92 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 144.82 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 109.25 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 p -163.53 126.32 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.061 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -147.72 158.49 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -171.7 -47.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -47.15 -53.56 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.69 93.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -151.99 175.78 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m120 64.02 -176.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.57 105.65 55.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.5 Cg_endo -74.97 -4.13 14.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -48.33 -24.48 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' PRO . 1.3 m -99.98 -31.33 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 9.9 mm -63.31 -23.45 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -43.65 -62.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m -130.45 99.01 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 79' ' ' VAL . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.744 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HG ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.848 ' O ' HG21 ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 30' ' ' VAL . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HB3' HD21 ' A' ' 92' ' ' LEU . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 57.0 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 87' ' ' LEU . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -70.84 119.8 15.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.33 66.49 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 4.1 mp0 -97.59 128.73 33.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.6 mttt 63.17 103.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 80.33 2.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.09 143.5 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -175.0 154.34 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.03 86.49 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.71 126.93 2.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.1 p -71.79 123.65 23.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 p -91.48 156.16 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -153.47 154.79 35.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.58 153.64 46.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.57 65.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 p -81.65 150.9 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t 60.73 152.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.74 93.83 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.87 146.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -112.64 163.68 14.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 135.2 49.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.08 137.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.99 73.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -152.93 163.83 39.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.71 174.86 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -143.82 85.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 61.72 154.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.0 t -89.94 118.49 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -125.37 -50.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.86 110.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 173.82 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.27 119.28 7.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.52 103.65 14.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.93 -0.16 9.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -114.19 30.44 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' PRO . 6.3 mm -96.75 -15.52 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -52.48 -59.57 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t -132.04 99.06 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 92' ' ' LEU . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.797 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.523 ' SG ' HG22 ' A' ' 67' ' ' VAL . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.797 ' O ' HG21 ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 30' ' ' VAL . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 35' ' ' LEU . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.533 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -73.04 127.42 32.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.54 83.24 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.72 116.53 63.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.71 154.48 41.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 85.47 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -175.58 -55.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.43 165.16 13.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -170.32 153.91 4.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.948 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.27 5.33 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -80.06 165.53 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.0 m -67.68 -59.66 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -135.18 145.19 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 168.39 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.37 -77.54 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -83.36 159.8 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -108.75 138.51 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 146.21 5.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tpp -165.56 144.96 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -80.35 126.19 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.76 142.91 33.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 tptt 60.81 60.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -166.28 112.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.22 153.8 33.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.62 150.87 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.31 159.91 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -156.27 142.93 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -118.52 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -160.34 -46.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -98.78 175.81 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.87 -64.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 53.72 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -104.78 106.51 55.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -75.04 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.1 62.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.7 p -89.12 -34.87 16.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 26' ' ' ILE . 6.7 mm -64.65 -24.18 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.29 -64.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -130.98 99.16 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 79' ' ' VAL . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 37' ' ' THR . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 35' ' ' LEU . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.779 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.537 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.537 ' HB2' HG21 ' A' ' 55' ' ' VAL . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 37' ' ' THR . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 37' ' ' THR . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 48' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 35' ' ' LEU . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -73.99 131.18 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.27 57.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.9 138.04 32.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -161.94 147.54 10.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.02 119.86 5.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.9 98.75 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.76 -56.06 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.3 p -47.09 141.57 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.83 153.3 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.39 8.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 118.99 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -157.22 151.15 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -115.22 104.49 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 92.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 96.95 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -115.6 83.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.94 155.32 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.17 141.55 15.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 0.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -94.07 -61.2 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp 64.0 146.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 119.68 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -156.83 101.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -156.0 126.79 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.99 141.61 38.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 99' ' ' GLU . 33.8 p -130.04 115.24 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -163.38 147.97 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' THR . 8.3 p -105.19 171.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 t -116.09 -45.71 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -179.93 164.85 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt 57.22 92.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.66 109.43 57.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -56.95 -19.72 19.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 m -105.28 -39.59 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.2 mm -61.11 -29.34 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.13 -56.98 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -134.86 98.94 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 79' ' ' VAL . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 37' ' ' THR . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 45' ' ' VAL . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' HB3' HG21 ' A' ' 55' ' ' VAL . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.592 ' O ' HG21 ' A' ' 37' ' ' THR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 32' ' ' ILE . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.595 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.543 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -64.79 120.34 12.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.11 -52.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 15' ' ' SER . 1.7 pt-20 -79.67 116.27 59.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -140.19 154.03 69.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.32 127.86 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 43.8 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 m -122.68 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.14 157.13 28.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 m 52.44 85.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.8 108.5 10.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -143.89 158.84 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -128.13 156.67 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 169.3 8.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.0 166.8 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.38 -110.59 1.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.04 168.41 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.4 p -145.23 159.48 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.64 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 pttt 45.59 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.71 167.75 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.11 147.34 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.66 158.04 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 164.39 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -146.54 -57.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.76 132.21 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -159.83 -44.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.91 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -155.86 106.78 2.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -91.67 100.67 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 103.7 14.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.76 20.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.79 63.95 3.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p 171.61 -34.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.6 mm -60.09 -39.18 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -39.97 -67.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -133.15 99.48 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 79' ' ' VAL . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.58 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' THR . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 45' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.76 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 45' ' ' VAL . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.85 ' O ' HG21 ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 32' ' ' ILE . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -57.97 -57.42 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -102.13 85.85 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -107.79 134.4 20.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -43.67 144.6 1.33 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.4 Cg_endo -74.97 156.48 43.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 155.31 31.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.05 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -102.08 161.76 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -40.6 156.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 89.05 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.67 112.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.71 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.15 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -163.15 81.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.35 -141.37 4.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -145.97 148.06 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 110.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.56 -152.97 11.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.31 96.37 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 p -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 169.61 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.82 91.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.93 89.44 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -81.97 92.36 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.61 84.52 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -145.77 84.76 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -56.33 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -121.19 137.16 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 p -82.12 72.43 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -86.35 98.31 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -67.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 p30 177.71 125.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -105.56 129.93 23.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . 18.2 Cg_endo -75.05 0.83 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -46.13 -39.27 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 55.9 m -78.28 -30.66 48.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' PRO . 8.4 mm -70.96 -32.29 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' ILE . 24.0 t30 -40.2 -63.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.525 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 6.1 t -139.69 99.21 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 79' ' ' VAL . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.908 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' HG22 ' A' ' 55' ' ' VAL . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.908 ' O ' HG21 ' A' ' 37' ' ' THR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' O ' HG21 ' A' ' 37' ' ' THR . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 30' ' ' VAL . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 79' ' ' VAL . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.515 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -56.27 -68.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.86 84.29 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.43 127.78 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 112.27 49.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.23 21.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.63 150.28 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 61.07 125.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.96 119.93 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.48 153.31 6.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.1 p -155.24 171.64 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -67.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -86.79 158.88 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.957 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 p -97.53 165.61 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 110.63 2.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -94.98 169.03 10.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.43 167.02 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 86.12 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttp -109.03 87.27 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 p -121.4 148.82 43.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.28 116.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -136.37 98.26 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.94 168.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.87 118.14 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.19 150.28 9.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -43.93 -35.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -179.24 -64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 17' ' ' VAL . 57.8 t 50.76 74.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -33.5 64.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 55.79 74.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.33 153.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -56.32 163.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.19 109.44 44.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.55 10.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -28.31 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.6 m -90.63 -24.86 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -73.66 -27.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -52.42 -42.88 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -142.11 98.9 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 79' ' ' VAL . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 37' ' ' THR . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 35' ' ' LEU . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 HD13 ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.725 HG22 ' OE2' ' A' ' 82' ' ' GLU . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG21 ' CA ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.696 ' O ' HG21 ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' CYS . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 30' ' ' VAL . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' HG22 ' A' ' 48' ' ' ILE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.625 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -52.21 -50.48 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.65 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -96.32 110.73 53.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.41 117.31 47.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.49 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.54 106.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 t -45.49 144.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.55 -158.16 7.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 107.41 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER 39.48 83.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.45 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -86.26 126.05 34.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 140.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 121.77 2.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -173.22 128.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -166.41 138.89 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.26 179.1 19.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.43 165.46 36.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -141.96 105.0 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tp -83.99 154.28 23.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -113.03 137.72 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.86 173.37 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -166.71 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.01 167.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.32 130.99 31.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -166.05 102.62 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.98 137.68 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.69 60.69 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -58.43 5.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -162.85 86.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -152.69 162.23 41.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.56 108.56 58.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.4 Cg_endo -75.01 -2.52 12.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -51.79 -54.99 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.0 p -64.15 -37.51 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 26' ' ' ILE . 4.8 mm -61.23 -30.63 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.7 t-20 -39.85 -57.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.52 98.96 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 79' ' ' VAL . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 37' ' ' THR . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 35' ' ' LEU . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.613 ' HB2' HG21 ' A' ' 55' ' ' VAL . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' HG21 ' A' ' 37' ' ' THR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' ILE . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.557 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -63.85 119.88 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.25 -56.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.25 114.35 41.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.0 162.68 19.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' ARG . 18.5 Cg_endo -75.0 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.57 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 65.64 163.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -108.55 133.04 53.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.04 163.93 15.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.81 37.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -151.8 134.56 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.12 121.95 40.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.83 148.03 48.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -161.5 99.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 114.68 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.18 97.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -149.55 119.11 6.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.23 159.35 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mtm -135.56 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -149.31 91.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.33 172.6 7.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.29 132.06 16.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.42 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.96 119.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.62 146.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -92.21 -56.36 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 177.46 137.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t 57.33 99.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -68.56 135.55 51.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -103.95 -47.64 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -177.71 133.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 p30 178.03 138.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.28 109.67 63.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -5.72 17.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 138.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER 69.05 -58.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.9 mm -39.56 -30.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' SER . 64.4 t30 -39.84 -43.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t -156.96 99.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 37' ' ' THR . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 35' ' ' LEU . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.792 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 45' ' ' VAL . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB2' HG21 ' A' ' 55' ' ' VAL . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.503 ' H ' HG21 ' A' ' 37' ' ' THR . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 30' ' ' VAL . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.646 ' OE2' HG22 ' A' ' 48' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 28.5 t-20 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -74.89 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.19 77.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.97 137.2 19.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 68.1 105.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.9 t70 46.86 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -66.96 107.76 2.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.7 m -56.77 -59.76 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.92 -147.7 38.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.95 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t -136.78 -57.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 118.67 34.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -153.89 158.16 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -173.56 159.99 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 114.72 1.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -161.17 119.2 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.56 149.63 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 152.75 18.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.16 92.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.77 124.64 14.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 167.53 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 154.47 41.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.7 -66.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.93 161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.75 158.32 39.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.0 p -51.92 171.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.3 153.45 44.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.72 134.3 65.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.06 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.43 171.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -48.8 123.36 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -128.82 117.6 21.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.73 110.15 56.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -3.88 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -25.49 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.2 p -98.22 -35.37 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 mm -62.35 -23.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -40.76 -49.25 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.7 t -150.04 99.67 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.778 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 79' ' ' VAL . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.906 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' VAL . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.906 ' O ' HG21 ' A' ' 37' ' ' THR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 32' ' ' ILE . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.517 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 30' ' ' VAL . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.73 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.0 t-20 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 57.4 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -75.1 125.85 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.48 -56.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -80.14 125.31 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 154.65 51.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.0 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -171.12 128.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.04 139.26 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.1 p -138.56 139.37 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.78 127.09 3.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.71 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.31 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 101.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 53.28 88.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 110.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.19 121.53 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.93 66.32 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.83 138.97 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.54 176.07 16.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ttm -172.35 116.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 0.727 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -157.18 159.37 37.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.97 146.79 37.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.32 -179.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.92 128.42 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.7 126.89 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 157.41 34.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 141.27 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -127.02 141.12 51.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.7 t -88.05 81.52 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 p -145.67 82.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 102.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.62 69.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -176.85 164.12 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.22 110.26 57.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -9.06 20.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.17 127.86 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 77.53 -53.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' GLY . 3.8 mm -40.23 -30.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 25' ' ' SER . 3.2 t-20 -39.93 -60.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m -134.45 99.71 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.552 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HB3' HG23 ' A' ' 37' ' ' THR . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.79 HG21 ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 42' ' ' LYS . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.42 HD13 HH22 ' A' ' 85' ' ' ARG . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.79 ' O ' HG21 ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 21.0 t-20 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.475 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . -52.43 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 70.68 -95.0 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 114.38 43.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.24 113.36 1.84 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' PRO . 30.8 m-20 61.01 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -54.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.03 80.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.07 -145.37 12.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.69 15.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 p -134.1 152.4 51.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -0.74 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -103.45 112.43 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -42.53 138.27 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.5 118.74 1.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -110.72 143.99 40.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.9 80.94 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.77 72.4 0.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.04 -55.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -142.66 85.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.71 -64.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 67.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt 71.59 -66.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.45 163.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 44.88 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -102.65 93.18 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 61.1 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.12 141.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -143.02 126.14 16.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -120.79 134.68 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.0 147.77 24.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.27 103.61 13.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.7 mttt -56.01 135.11 52.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER 85.69 -46.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -53.37 -24.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -43.06 -50.68 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t -154.99 99.06 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 79' ' ' VAL . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 37' ' ' THR . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 35' ' ' LEU . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.683 ' HB2' HG21 ' A' ' 55' ' ' VAL . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.532 ' O ' HG21 ' A' ' 37' ' ' THR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.545 ' N ' HG21 ' A' ' 37' ' ' THR . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.718 HG12 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.718 ' CE2' HG12 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' HB3' ' CG ' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.481 ' CG ' ' HB3' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.932 HG21 ' HG2' ' A' ' 96' ' ' MET . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.932 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . 54.97 -89.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 96' ' ' MET . . . 82.63 -70.89 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.29 120.1 78.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -147.64 159.63 40.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -172.11 132.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -112.74 141.14 46.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -160.3 145.23 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.54 -135.64 7.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 89.88 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.6 p -154.91 95.93 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.94 142.1 38.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.62 142.39 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 163.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -99.1 0.19 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.24 168.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.57 151.04 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 120.08 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.07 103.76 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -107.36 88.94 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 162.87 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.16 130.49 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 165.4 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -57.65 122.89 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.02 128.7 28.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.26 84.17 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -60.15 101.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.86 129.87 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 120.45 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -137.92 153.17 49.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -43.34 -62.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.2 103.59 15.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.58 11.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.0 mptt -60.21 120.0 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.2 p 88.95 -22.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 5.1 mm -72.81 -23.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.34 -62.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -129.78 99.07 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 79' ' ' VAL . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.517 ' CG2' HD22 ' A' ' 35' ' ' LEU . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD22 ' CG2' ' A' ' 32' ' ' ILE . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.61 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.4 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.746 ' O ' HG21 ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.695 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.695 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 35' ' ' LEU . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.481 HD12 ' CB ' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -66.12 -54.17 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.47 74.28 1.97 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.43 122.38 72.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 pttt -154.03 94.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 70.43 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.748 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 3.0 p30 158.74 162.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -104.91 -56.95 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t 47.02 82.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.86 178.73 26.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.37 156.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.0 t 57.03 87.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -145.22 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.39 152.8 12.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.75 110.16 2.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -175.63 114.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -75.6 143.48 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.53 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.3 151.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.27 170.34 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.25 -52.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 61.35 -175.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.79 121.19 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.89 64.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.28 154.57 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -173.48 133.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.7 134.09 20.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.37 92.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 p -135.18 173.45 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.42 94.42 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.53 84.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -113.99 116.19 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -99.83 110.35 58.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -56.21 -28.22 57.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 26' ' ' ILE . 15.7 mm -66.25 -36.37 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.17 -49.9 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t -150.55 99.64 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 HG22 ' A' ' 79' ' ' VAL . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 45' ' ' VAL . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.567 ' O ' HG21 ' A' ' 37' ' ' THR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 32' ' ' ILE . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.435 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ALA . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.523 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.722 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -63.46 -53.79 46.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.28 72.83 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.71 118.27 71.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -54.57 154.04 9.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.32 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -105.29 141.24 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 15.1 ttm105 -98.53 104.6 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.22 144.97 22.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.16 121.66 2.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 59.9 5.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.12 126.23 52.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.6 t -163.64 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -123.77 169.94 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -131.06 138.23 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 74.86 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.83 80.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -128.51 122.26 30.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.14 -146.86 12.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mtt 60.48 112.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -40.48 124.87 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.04 140.81 17.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -51.14 143.23 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -122.98 166.71 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.46 63.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.18 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 152.58 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -162.31 155.26 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.42 125.97 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -91.23 131.72 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -55.98 160.18 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.37 106.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.73 159.84 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 103.44 51.16 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.77 19.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -28.4 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 21.6 m -87.89 -32.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.4 -29.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.63 -58.54 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -133.28 98.8 4.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 37' ' ' THR . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' LEU . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' HB ' ' A' ' 45' ' ' VAL . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HZ3' HG23 ' A' ' 60' ' ' VAL . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.742 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.622 ' N ' ' HZ1' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG23 ' HZ3' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 37' ' ' THR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 32' ' ' ILE . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 35' ' ' LEU . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 30' ' ' VAL . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -54.66 -50.2 68.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.68 83.1 0.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.67 125.75 70.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -99.75 118.54 61.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.07 18.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -102.22 110.39 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -158.44 101.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.24 -59.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.46 169.46 30.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -77.71 157.13 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.16 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.069 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -87.3 103.12 15.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -125.81 168.59 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -133.81 1.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -94.46 83.97 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 132.71 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 178.27 15.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -108.23 -56.9 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.52 96.8 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' SER . 10.1 mp -115.71 139.46 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 57.23 106.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.83 165.39 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.17 118.12 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.62 138.16 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -68.69 133.08 47.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.44 179.22 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -47.96 166.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.2 p -71.96 -44.07 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 176.51 157.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -145.51 148.24 33.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.45 86.01 7.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.07 103.64 12.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.86 19.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.62 -31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -84.94 -37.51 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.17 -37.7 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.08 -60.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -137.97 99.07 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 79' ' ' VAL . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 92' ' ' LEU . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.978 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 55' ' ' VAL . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG22 ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 67' ' ' VAL . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.978 ' O ' HG21 ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 32' ' ' ILE . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG12 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 6.5 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.444 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -62.5 -54.9 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.82 56.93 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 63.9 tt0 -116.16 132.07 23.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 99' ' ' GLU . 18.4 Cg_endo -75.01 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 114.78 1.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.44 5.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.38 118.45 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 151.87 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -141.48 121.93 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.37 41.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.22 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.1 100.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -163.69 146.54 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.29 109.23 12.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.61 -57.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.84 150.36 6.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -152.72 91.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 m -59.13 160.36 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.43 141.9 9.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -137.19 151.87 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.44 109.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -153.76 81.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.98 165.54 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.36 143.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -163.11 127.6 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.2 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.92 -58.61 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -66.87 129.96 41.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.92 176.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -134.65 154.42 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -120.38 -50.17 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -63.08 170.83 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 57.17 175.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.95 107.13 55.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.98 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -59.34 -21.45 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 m -101.39 -36.61 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 2.7 mm -59.28 -40.62 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -40.73 -64.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m -130.6 99.22 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 79' ' ' VAL . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.839 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 45' ' ' VAL . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' OE1' HG21 ' A' ' 55' ' ' VAL . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.413 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.839 ' O ' HG21 ' A' ' 37' ' ' THR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.586 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 67' ' ' VAL . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.531 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -54.45 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.2 94.04 0.8 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -136.45 133.26 19.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.414 1.744 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -124.12 144.03 44.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.57 24.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -137.33 -61.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -132.27 96.98 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -66.83 -54.96 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.41 177.15 23.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 73.44 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.32 88.26 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m 60.04 151.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -120.79 165.44 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -47.21 105.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.17 -100.47 1.49 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -148.68 100.32 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -161.97 124.22 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 -107.44 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 ptm -99.39 156.96 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.16 141.42 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.96 153.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 157.46 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 142.78 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 61.13 93.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.48 169.61 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -132.43 80.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -99.31 161.5 13.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.75 58.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -133.07 -51.94 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.11 90.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.4 -55.9 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.69 113.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.26 104.15 16.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.98 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.25 -38.27 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 49.2 m -83.26 -26.06 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 26' ' ' ILE . 5.5 mm -69.93 -23.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -44.19 -42.49 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t -157.52 102.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 97' ' ' ALA . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 79' ' ' VAL . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 37' ' ' THR . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' LEU . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 45' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' VAL . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 32' ' ' ILE . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.96 ' SG ' HG13 ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' H ' HG21 ' A' ' 37' ' ' THR . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.96 HG13 ' SG ' ' A' ' 58' ' ' CYS . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' CG ' ' HB3' ' A' ' 56' ' ' ALA . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 30' ' ' VAL . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t-20 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.447 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . -50.97 -62.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.35 90.95 1.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.48 126.45 28.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.572 1.827 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -44.03 102.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.82 19.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.99 143.53 22.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 179.54 146.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.14 157.41 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.33 154.33 18.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.54 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t 59.3 103.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t 50.04 90.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.19 165.79 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -167.74 153.5 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 -131.48 6.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 178.16 124.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -105.22 136.73 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.22 77.97 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.09 137.93 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.97 148.71 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.39 167.19 21.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.32 139.53 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.25 140.03 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -137.46 92.34 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.45 163.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -65.32 106.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -122.54 117.72 26.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -76.26 88.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -116.46 129.36 56.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.18 114.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.29 103.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.92 103.67 48.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' SER . 18.4 Cg_endo -74.96 -2.29 12.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' SER . 10.7 mmtt -67.32 74.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER 160.44 -38.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.15 -26.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -40.62 -49.67 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.6 t -154.75 99.68 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 79' ' ' VAL . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.693 HG21 ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.693 ' O ' HG21 ' A' ' 37' ' ' THR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.762 HG23 ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 30' ' ' VAL . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.408 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -71.06 127.46 32.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.78 57.58 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -94.25 128.95 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -81.18 125.77 78.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.5 t70 72.86 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 103.84 13.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.2 p -140.87 104.17 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.61 -172.33 48.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.26 2.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.7 m -103.17 111.45 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 79' ' ' VAL . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 37' ' ' THR . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 45' ' ' VAL . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' HG21 ' A' ' 55' ' ' VAL . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.777 ' O ' HG21 ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG23 ' CD1' ' A' ' 32' ' ' ILE . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.521 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 30' ' ' VAL . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' HD21 ' A' ' 92' ' ' LEU . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.1 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.466 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 79' ' ' VAL . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.744 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HG ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.848 ' O ' HG21 ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 30' ' ' VAL . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HB3' HD21 ' A' ' 92' ' ' LEU . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 24.8 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 87' ' ' LEU . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 92' ' ' LEU . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.797 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.523 ' SG ' HG22 ' A' ' 67' ' ' VAL . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.797 ' O ' HG21 ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 30' ' ' VAL . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 35' ' ' LEU . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.533 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 79' ' ' VAL . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 37' ' ' THR . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 35' ' ' LEU . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.779 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.537 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.537 ' HB2' HG21 ' A' ' 55' ' ' VAL . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 37' ' ' THR . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 37' ' ' THR . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 48' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 35' ' ' LEU . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 79' ' ' VAL . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 37' ' ' THR . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 45' ' ' VAL . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' HB3' HG21 ' A' ' 55' ' ' VAL . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.592 ' O ' HG21 ' A' ' 37' ' ' THR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 32' ' ' ILE . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.595 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.543 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 79' ' ' VAL . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.58 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' THR . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 45' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.76 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 45' ' ' VAL . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.85 ' O ' HG21 ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 32' ' ' ILE . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.525 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 6.1 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 79' ' ' VAL . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.908 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' HG22 ' A' ' 55' ' ' VAL . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.908 ' O ' HG21 ' A' ' 37' ' ' THR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.513 ' O ' HG21 ' A' ' 37' ' ' THR . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 30' ' ' VAL . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 79' ' ' VAL . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.515 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 79' ' ' VAL . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 37' ' ' THR . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 35' ' ' LEU . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 HD13 ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.725 HG22 ' OE2' ' A' ' 82' ' ' GLU . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.408 HG21 ' CA ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.696 ' O ' HG21 ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' CYS . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 12.0 m170 -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 30' ' ' VAL . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' HG22 ' A' ' 48' ' ' ILE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.625 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 79' ' ' VAL . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 37' ' ' THR . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 35' ' ' LEU . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.613 ' HB2' HG21 ' A' ' 55' ' ' VAL . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' HG21 ' A' ' 37' ' ' THR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' ILE . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.557 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 37' ' ' THR . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 35' ' ' LEU . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.792 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 45' ' ' VAL . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB2' HG21 ' A' ' 55' ' ' VAL . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.503 ' H ' HG21 ' A' ' 37' ' ' THR . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 17.3 m170 -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 30' ' ' VAL . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.646 ' OE2' HG22 ' A' ' 48' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.8 t30 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.778 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 79' ' ' VAL . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.906 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' VAL . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.906 ' O ' HG21 ' A' ' 37' ' ' THR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 32' ' ' ILE . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.517 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 30' ' ' VAL . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.73 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 6.9 t30 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 25.1 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.552 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HB3' HG23 ' A' ' 37' ' ' THR . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.79 HG21 ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 42' ' ' LYS . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.42 HD13 HH22 ' A' ' 85' ' ' ARG . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.79 ' O ' HG21 ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 5.9 t30 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.475 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 79' ' ' VAL . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 37' ' ' THR . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 35' ' ' LEU . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.683 ' HB2' HG21 ' A' ' 55' ' ' VAL . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.532 ' O ' HG21 ' A' ' 37' ' ' THR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.545 ' N ' HG21 ' A' ' 37' ' ' THR . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.718 HG12 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.718 ' CE2' HG12 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 71' ' ' ASN . 18.0 m170 -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.932 HG21 ' HG2' ' A' ' 96' ' ' MET . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.932 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 79' ' ' VAL . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.517 ' CG2' HD22 ' A' ' 35' ' ' LEU . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD22 ' CG2' ' A' ' 32' ' ' ILE . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.61 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.4 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.746 ' O ' HG21 ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.695 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.695 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 35' ' ' LEU . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.481 HD12 ' CB ' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 HG22 ' A' ' 79' ' ' VAL . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 45' ' ' VAL . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.567 ' O ' HG21 ' A' ' 37' ' ' THR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 32' ' ' ILE . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CD2' ' CB ' ' A' ' 71' ' ' ASN . 18.2 m170 -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ALA . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.523 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.722 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 37' ' ' THR . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' LEU . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' HB ' ' A' ' 45' ' ' VAL . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HZ3' HG23 ' A' ' 60' ' ' VAL . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.742 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.622 ' N ' ' HZ1' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG23 ' HZ3' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 37' ' ' THR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 32' ' ' ILE . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 35' ' ' LEU . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 30' ' ' VAL . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 79' ' ' VAL . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 92' ' ' LEU . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.978 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 55' ' ' VAL . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.546 HG22 ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 67' ' ' VAL . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.978 ' O ' HG21 ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 32' ' ' ILE . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG12 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.8 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.444 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 79' ' ' VAL . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.839 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 45' ' ' VAL . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' OE1' HG21 ' A' ' 55' ' ' VAL . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.413 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.839 ' O ' HG21 ' A' ' 37' ' ' THR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.586 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 67' ' ' VAL . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.531 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 97' ' ' ALA . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 79' ' ' VAL . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 37' ' ' THR . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' LEU . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 45' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' VAL . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 32' ' ' ILE . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.96 ' SG ' HG13 ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' H ' HG21 ' A' ' 37' ' ' THR . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.96 HG13 ' SG ' ' A' ' 58' ' ' CYS . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' CG ' ' HB3' ' A' ' 56' ' ' ALA . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 30' ' ' VAL . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.4 t30 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.447 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 79' ' ' VAL . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.693 HG21 ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.693 ' O ' HG21 ' A' ' 37' ' ' THR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.762 HG23 ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 30' ' ' VAL . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.408 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.01 153.93 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -146.7 131.28 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.48 33.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.18 131.32 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -119.65 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.48 127.03 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -168.41 -61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.56 131.7 25.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.65 94.68 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -111.63 146.57 37.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.05 -62.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 65.25 168.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 58.61 83.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.3 p -157.77 84.02 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 t30 177.33 161.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.0 t 62.39 138.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -65.81 171.62 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -165.48 162.94 19.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.45 63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -135.61 160.22 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.79 108.17 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -0.24 9.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.31 132.36 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 68.3 26.86 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -97.33 -21.3 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -48.51 -61.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 3.3 m -128.09 99.06 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 27.4 ttt180 -146.96 155.24 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 79' ' ' VAL . 47.2 t -133.49 143.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -112.89 103.4 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -87.86 111.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.15 -170.09 20.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t30 40.54 33.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 37' ' ' THR . 22.4 tp -99.25 118.31 35.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -48.37 -33.85 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 ' O ' ' A' ' 61' ' ' HIS . 11.4 p 45.01 24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.65 -32.29 8.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -115.88 -39.52 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.36 127.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -102.72 -178.82 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -82.79 -38.63 22.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -34.4 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.53 -64.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.2 p -46.62 -27.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.1 mm-40 -65.23 -51.9 57.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -69.74 -14.94 63.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 45' ' ' VAL . 96.1 mt -78.54 -49.4 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -86.25 -32.62 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 13.4 t -39.55 -30.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 49' ' ' PHE . 13.9 mtmt -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 57.0 m-85 -62.9 -16.1 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.49 142.65 4.34 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 125.31 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -83.23 129.75 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.35 -35.06 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -167.75 131.91 2.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' HG21 ' A' ' 55' ' ' VAL . 18.1 t -123.46 148.51 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.09 120.71 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 42' ' ' LYS . 24.3 t -98.87 123.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.777 ' O ' HG21 ' A' ' 37' ' ' THR . 80.2 m-70 -116.64 159.34 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 94.31 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.02 -25.64 5.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' HIS . 22.7 p90 -160.46 172.6 16.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.96 149.68 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -115.23 152.29 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG23 ' CD1' ' A' ' 32' ' ' ILE . 94.2 t -141.19 130.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.6 tp60 -113.72 144.0 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 73.3 m-85 -127.65 173.16 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 p -88.73 -41.1 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.64 156.71 18.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.73 -17.12 60.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.28 -45.13 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.91 -20.26 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.594 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.83 -63.19 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.0 -43.71 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.83 -48.01 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.521 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -72.11 -27.53 62.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 30' ' ' VAL . 78.5 t -63.02 -67.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.21 -41.97 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.84 -38.94 24.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 78.7 mm-40 -98.36 -54.89 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 31.7 t30 -38.44 117.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.95 -21.37 13.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -67.98 157.21 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.48 145.11 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' HD21 ' A' ' 92' ' ' LEU . 4.6 tt -149.54 114.7 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.61 -9.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.38 -22.15 6.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.1 mt-30 -93.02 149.23 21.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.7 m -84.32 104.76 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.1 mt -45.84 112.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.45 100.31 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 13.5 mt -113.03 152.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.95 164.42 25.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.466 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.2 140.59 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -74.09 126.61 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.92 81.35 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.49 142.06 30.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.5 OUTLIER -104.52 141.99 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.01 77.88 3.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.75 152.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 161.54 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.69 166.14 34.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.17 -176.68 31.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.48 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 p -101.54 108.92 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -163.86 -56.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -109.75 163.91 13.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.73 169.91 16.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 119.54 0.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m 56.38 166.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -172.43 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 -159.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.36 -55.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 0.808 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 p -163.65 155.32 16.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -93.51 137.34 32.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -161.93 161.5 28.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 64.92 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 144.82 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 109.25 3.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 p -163.53 126.32 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.061 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -147.72 158.49 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -171.7 -47.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -47.15 -53.56 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.69 93.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -151.99 175.78 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m120 64.02 -176.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.57 105.65 55.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.5 Cg_endo -74.97 -4.13 14.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -48.33 -24.48 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' PRO . 1.3 m -99.98 -31.33 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 9.9 mm -63.31 -23.45 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -43.65 -62.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.5 m -130.45 99.01 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -144.17 155.83 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 79' ' ' VAL . 55.2 t -135.71 140.76 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -113.65 99.23 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.6 mt -84.58 106.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -105.65 -166.32 23.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.3 t30 40.29 31.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' GLY . 21.0 tp -98.0 119.97 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.7 t30 -52.1 -32.03 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.8 p 44.45 24.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -106.92 -34.13 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -114.31 -38.63 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.2 t -71.24 123.68 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.07 -40.8 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -32.37 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 46' ' ' GLU . 59.0 m-20 -79.02 -66.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.8 p -44.97 -26.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mm-40 -65.75 -56.44 12.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -66.7 -12.05 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.7 mt -79.1 -49.15 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 m-85 -89.46 -30.53 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -48.12 -23.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -31.65 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.744 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 36.4 m-85 -76.39 -17.53 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.27 136.5 3.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.81 128.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -88.31 136.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -67.31 -40.04 85.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.76 146.51 15.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HG ' ' CD ' ' A' ' 46' ' ' GLU . 1.6 p -133.77 139.2 46.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.72 108.7 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 42' ' ' LYS . 76.8 t -96.79 123.96 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.848 ' O ' HG21 ' A' ' 37' ' ' THR . 56.2 m-70 -118.1 161.04 20.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -71.51 90.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 130.94 -24.41 4.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.45 176.28 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.36 144.2 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -104.75 156.74 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.8 t -149.35 112.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.8 tp60 -99.0 144.65 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 84.7 m-85 -125.44 172.41 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -89.14 -40.63 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.6 157.0 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.02 -41.93 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -57.34 -17.94 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.25 -64.21 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -34.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.16 -49.49 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -72.29 -25.96 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG22 HG22 ' A' ' 30' ' ' VAL . 68.9 t -63.82 -68.32 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.16 -44.56 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.83 -40.88 12.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 21.2 mm-40 -95.44 -55.3 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 36.8 t30 -38.05 115.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.44 10.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.97 154.62 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 146.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.726 ' HB3' HD21 ' A' ' 92' ' ' LEU . 5.0 tt -149.62 114.32 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.97 -11.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.84 -18.39 6.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 24.8 mt-30 -97.36 148.24 23.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.1 m -82.68 103.7 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 87' ' ' LEU . 71.6 mt -44.88 115.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.53 100.45 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 17.0 mt -114.55 147.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -162.79 166.36 24.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 138.0 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -70.84 119.8 15.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.33 66.49 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 4.1 mp0 -97.59 128.73 33.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.6 mttt 63.17 103.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 80.33 2.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.09 143.5 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -175.0 154.34 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.03 86.49 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.71 126.93 2.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.1 p -71.79 123.65 23.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 p -91.48 156.16 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -153.47 154.79 35.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.58 153.64 46.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.57 65.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 p -81.65 150.9 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t 60.73 152.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.74 93.83 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.87 146.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -112.64 163.68 14.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.91 135.2 49.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.08 137.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.99 73.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -152.93 163.83 39.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.71 174.86 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -143.82 85.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 61.72 154.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.0 t -89.94 118.49 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -125.37 -50.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 59.86 110.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 173.82 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.27 119.28 7.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.52 103.65 14.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.93 -0.16 9.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 m -114.19 30.44 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' PRO . 6.3 mm -96.75 -15.52 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -52.48 -59.57 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 7.7 t -132.04 99.06 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.7 ttm180 -146.13 155.55 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -133.27 143.35 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -113.37 104.36 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.8 mp -87.78 113.05 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.69 -172.48 20.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.5 t30 40.07 38.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 92' ' ' LEU . 21.0 tp -104.62 110.13 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 38' ' ' ALA . 9.6 t30 -42.38 -29.81 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.797 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.6 p 42.74 25.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.46 -37.06 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.23 -37.0 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.73 125.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -103.36 -178.28 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.3 tttm -80.75 -48.27 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.13 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.29 -62.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.5 p -51.82 -25.47 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mm-40 -68.23 -58.03 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 8.4 m -62.65 -24.29 67.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.8 mt -70.31 -41.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.7 m-85 -93.74 -13.09 27.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLU . 49.7 p -62.18 -21.72 65.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -22.03 65.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 53.8 m-85 -94.76 6.62 48.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.5 162.16 11.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 130.4 44.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -89.55 125.56 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.95 -42.39 76.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.3 124.31 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.523 ' SG ' HG22 ' A' ' 67' ' ' VAL . 9.0 t -117.03 140.15 49.83 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.6 m -130.39 145.93 51.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 42' ' ' LYS . 46.9 t -120.43 120.06 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.797 ' O ' HG21 ' A' ' 37' ' ' THR . 19.6 m-70 -113.82 161.41 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 91.98 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.21 -17.18 7.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.2 p90 -165.9 174.8 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 0.721 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.98 153.84 38.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -119.22 146.51 45.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.4 t -135.97 125.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ALA . 26.0 tp60 -110.62 141.96 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 36.6 m-85 -125.47 173.35 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -89.26 -38.89 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 134.32 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.8 -13.38 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -42.53 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -56.19 -21.53 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.51 -63.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -42.38 1.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.71 76.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -70.69 -29.4 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 30' ' ' VAL . 70.8 t -59.94 -66.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -72.2 -43.72 64.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.92 -33.88 14.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 23.5 mm-40 -101.94 -55.32 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 27.0 t30 -38.81 108.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.08 -21.74 6.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.88 149.01 50.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.4 OUTLIER -114.21 144.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tt -149.83 117.42 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.54 -2.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.95 14.65 18.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -128.98 135.28 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.2 m -74.61 116.04 14.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 35' ' ' LEU . 69.0 mt -64.19 115.82 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.77 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.0 mt -111.48 151.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -162.59 162.64 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.533 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -67.82 140.49 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -73.04 127.42 32.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.54 83.24 1.64 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.72 116.53 63.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.71 154.48 41.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 85.47 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -175.58 -55.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.43 165.16 13.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -170.32 153.91 4.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.948 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.27 5.33 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -80.06 165.53 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.0 m -67.68 -59.66 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -135.18 145.19 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 168.39 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.37 -77.54 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -83.36 159.8 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -108.75 138.51 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 146.21 5.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tpp -165.56 144.96 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -80.35 126.19 30.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.76 142.91 33.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 tptt 60.81 60.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -166.28 112.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.22 153.8 33.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.62 150.87 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.31 159.91 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -156.27 142.93 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -118.52 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -160.34 -46.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -98.78 175.81 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.87 -64.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 53.72 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -104.78 106.51 55.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -75.04 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.1 62.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.7 p -89.12 -34.87 16.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 26' ' ' ILE . 6.7 mm -64.65 -24.18 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.29 -64.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -130.98 99.16 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.2 ttm180 -145.87 155.92 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 79' ' ' VAL . 41.9 t -133.19 143.93 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -88.41 111.84 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.62 -168.84 20.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 13.6 t30 40.18 29.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 37' ' ' THR . 16.1 tp -93.75 132.35 38.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 16.9 t30 -67.26 -28.95 68.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 35' ' ' LEU . 14.3 p 41.6 25.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.45 -33.44 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 10.7 mt -116.66 -36.16 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.77 119.18 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.64 -178.5 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.8 tttm -82.15 -40.17 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -63.83 -32.0 73.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.17 -63.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.779 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.5 p -48.04 -24.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.5 mm-40 -68.62 -50.32 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -70.18 -12.08 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.2 mt -82.65 -45.94 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 9.4 m-85 -90.44 -27.91 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 21.3 t -52.06 -20.84 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -62.92 -24.61 67.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 61.3 m-85 -88.9 3.23 52.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.36 144.9 6.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -47.39 124.86 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.537 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -86.08 130.15 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -55.5 -45.08 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -159.47 127.88 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.537 ' HB2' HG21 ' A' ' 55' ' ' VAL . 7.8 t -117.87 138.12 52.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.5 m -132.55 140.39 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 44.3 t -119.81 115.79 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' TYR . 16.8 m-70 -109.24 162.27 14.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -74.86 94.49 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 37' ' ' THR . . . 122.81 -21.0 7.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 37' ' ' THR . 22.9 p90 -160.96 173.99 14.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.94 148.32 29.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.32 148.71 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 32' ' ' ILE . 86.2 t -137.74 129.57 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' ALA . 27.0 tp60 -113.1 141.35 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 44.9 m-85 -125.0 170.52 11.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 p -85.99 -39.79 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -106.85 152.52 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -73.8 -17.1 61.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -84.25 -39.57 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -59.57 -18.4 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.4 -63.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.73 -38.76 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.41 71.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.91 -25.3 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -64.52 -67.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.64 -38.9 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.22 -33.71 46.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 48' ' ' ILE . 18.2 mm-40 -102.07 -54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.8 t-20 -38.49 103.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.2 -21.56 4.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.95 150.04 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.91 143.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.7 115.56 5.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.71 3.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.07 18.01 23.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -131.18 132.99 45.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 m -74.06 113.01 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 35' ' ' LEU . 70.7 mt -62.55 115.0 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 18.5 mt -111.48 152.99 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.96 168.43 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.77 142.66 46.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -73.99 131.18 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.27 57.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -127.9 138.04 32.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -161.94 147.54 10.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.02 119.86 5.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.9 98.75 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.76 -56.06 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.3 p -47.09 141.57 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.83 153.3 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.39 8.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 118.99 17.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -157.22 151.15 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -115.22 104.49 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 92.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 96.95 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -115.6 83.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.94 155.32 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.17 141.55 15.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 0.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -94.07 -61.2 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp 64.0 146.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 119.68 25.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -156.83 101.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -156.0 126.79 6.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.99 141.61 38.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 99' ' ' GLU . 33.8 p -130.04 115.24 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -163.38 147.97 10.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' THR . 8.3 p -105.19 171.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 4.6 t -116.09 -45.71 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -179.93 164.85 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt 57.22 92.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -172.89 143.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.66 109.43 57.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -56.95 -19.72 19.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 m -105.28 -39.59 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.2 mm -61.11 -29.34 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.13 -56.98 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -134.86 98.94 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 4.1 ttt180 -149.92 155.89 40.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 79' ' ' VAL . 77.6 t -135.18 141.18 43.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.16 100.52 8.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.54 106.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 -172.59 22.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 41.36 34.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HG23 ' A' ' 37' ' ' THR . 25.7 tp -98.81 110.07 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.9 t30 -40.58 -30.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 35' ' ' LEU . 10.2 p 42.61 25.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.6 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mt -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.01 124.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.76 -178.79 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -81.38 -40.67 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -27.7 69.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 46' ' ' GLU . 2.0 m-20 -82.05 -64.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.1 p -47.37 -25.04 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.8 mm-40 -65.51 -56.6 11.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -68.23 -12.68 61.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 45' ' ' VAL . 87.2 mt -78.89 -50.82 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.5 m-85 -87.42 -33.88 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 18.6 t -40.84 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 49' ' ' PHE . 17.1 mtmt -54.35 -48.95 70.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 59.4 m-85 -59.07 -21.95 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.28 145.1 4.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.02 130.5 5.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -90.47 129.6 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.8 -37.6 87.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.44 142.52 11.73 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' HB3' HG21 ' A' ' 55' ' ' VAL . 8.1 p -134.12 132.61 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -146.91 129.0 15.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.45 124.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.592 ' O ' HG21 ' A' ' 37' ' ' THR . 21.3 m-70 -115.61 161.06 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -75.49 92.75 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.73 -18.93 7.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.6 p90 -161.62 173.54 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.91 147.2 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.71 143.23 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 32' ' ' ILE . 75.7 t -136.12 129.27 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -112.28 144.34 41.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 90.2 m-85 -127.14 172.11 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -91.43 -38.6 12.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.62 149.54 27.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.91 -13.46 61.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -87.23 -41.87 13.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.49 -18.97 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.37 -64.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.26 -42.78 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.39 89.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.595 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -73.4 -25.59 60.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 30' ' ' VAL . 67.8 t -64.38 -67.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.69 -45.01 69.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.55 -38.59 7.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.0 mm-40 -97.67 -56.67 2.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 8.1 t-20 -39.2 119.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.97 -26.64 8.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.93 150.36 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.34 146.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.67 116.39 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.36 -0.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.52 15.34 19.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -129.42 131.94 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 110.232 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.1 m -72.52 104.77 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ARG . 71.9 mt -49.58 116.29 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.61 100.46 13.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 15.4 mt -114.95 152.07 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.3 169.92 18.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.543 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -78.24 131.13 36.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.763 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -64.79 120.34 12.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.11 -52.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 15' ' ' SER . 1.7 pt-20 -79.67 116.27 59.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -140.19 154.03 69.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.32 127.86 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 43.8 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 m -122.68 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.14 157.13 28.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 m 52.44 85.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.8 108.5 10.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -143.89 158.84 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -128.13 156.67 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 169.3 8.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.0 166.8 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 115.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.38 -110.59 1.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.04 168.41 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.4 p -145.23 159.48 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.64 176.75 9.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 pttt 45.59 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.71 167.75 5.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.11 147.34 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.66 158.04 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 164.39 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -146.54 -57.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.76 132.21 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -159.83 -44.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.91 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -155.86 106.78 2.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -91.67 100.67 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.53 103.7 14.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.76 20.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.79 63.95 3.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p 171.61 -34.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.6 mm -60.09 -39.18 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -39.97 -67.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -133.15 99.48 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.5 ttm180 -144.0 156.19 44.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 79' ' ' VAL . 61.1 t -134.62 141.07 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -112.02 102.32 10.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.58 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -86.15 109.83 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.48 -173.87 22.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.9 t30 40.16 46.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' THR . 26.7 tp -111.68 111.8 23.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.3 t30 -41.1 -32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.9 p 43.63 24.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.17 -35.83 6.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.19 -39.22 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.39 128.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -105.0 -178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 45' ' ' VAL . 4.7 tttm -81.27 -44.77 17.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.81 -32.33 71.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.06 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.76 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.5 p -45.24 -29.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -63.75 -53.71 46.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -67.48 -13.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 45' ' ' VAL . 97.2 mt -80.06 -51.9 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 8.1 m-85 -84.04 -30.16 26.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 25.7 t -47.59 -26.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 7.4 ptpt -57.09 -26.98 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.9 m-85 -88.85 0.84 56.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.41 160.35 9.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.564 1.165 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 122.78 18.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -82.33 129.54 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.71 80.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -166.73 135.49 3.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -126.07 141.94 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.54 123.38 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.9 t -100.52 124.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.85 ' O ' HG21 ' A' ' 37' ' ' THR . 55.6 m-70 -118.38 156.07 29.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 91.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.63 -23.99 4.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' HIS . 26.2 p90 -163.36 173.08 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -146.54 154.94 42.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -119.92 155.09 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.58 HG23 ' CD1' ' A' ' 32' ' ' ILE . 69.0 t -144.63 126.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 28' ' ' SER . 40.5 tp60 -108.02 146.69 32.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 67' ' ' VAL . 43.1 m-85 -132.06 173.16 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -90.32 -38.73 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.86 154.6 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -82.68 -39.11 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 19.5 m170 -56.18 -21.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.618 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -89.18 -64.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.65 -42.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.8 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.0 -27.97 65.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG22 HG22 ' A' ' 30' ' ' VAL . 75.8 t -61.84 -65.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.76 -43.76 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -50.07 -32.63 20.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 10.8 mm-40 -100.76 -55.85 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t-20 -38.77 126.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.25 -26.77 14.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.62 150.26 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -113.77 147.08 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.1 tt -149.51 117.87 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.19 -12.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.64 -1.38 10.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -115.26 144.95 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -79.58 115.27 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ARG . 68.3 mt -59.84 115.42 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 99.9 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.587 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -113.98 146.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -162.85 165.84 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.01 138.55 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -57.97 -57.42 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -102.13 85.85 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -107.79 134.4 20.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -43.67 144.6 1.33 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.4 Cg_endo -74.97 156.48 43.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 155.31 31.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.05 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -102.08 161.76 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -40.6 156.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 89.05 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.67 112.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.71 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.952 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.15 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -163.15 81.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.35 -141.37 4.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -145.97 148.06 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 110.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.56 -152.97 11.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.31 96.37 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 p -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 169.61 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.82 91.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.93 89.44 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -81.97 92.36 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.61 84.52 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -145.77 84.76 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.92 -56.33 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -121.19 137.16 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 p -82.12 72.43 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -86.35 98.31 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -67.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 p30 177.71 125.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -105.56 129.93 23.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . 18.2 Cg_endo -75.05 0.83 8.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -46.13 -39.27 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 55.9 m -78.28 -30.66 48.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' PRO . 8.4 mm -70.96 -32.29 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' ILE . 24.0 t30 -40.2 -63.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.525 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 6.1 t -139.69 99.21 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 30' ' ' VAL . 18.7 ttm180 -142.34 156.07 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 79' ' ' VAL . 55.4 t -134.78 142.2 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -113.51 101.37 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.496 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.3 mp -84.98 109.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.91 -170.29 24.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 42.03 33.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.04 119.98 39.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' OG1' ' A' ' 37' ' ' THR . 8.7 t30 -54.98 -31.36 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.908 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.7 p 44.51 24.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.02 -36.69 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.78 -38.16 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 87' ' ' LEU . 2.1 t -72.92 134.28 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.36 -178.54 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -85.57 -37.27 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -23.2 63.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.24 -55.63 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.6 p -57.44 -25.75 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' HG22 ' A' ' 55' ' ' VAL . 1.9 mm-40 -62.51 -57.8 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -63.24 -27.09 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.9 mt -65.24 -44.88 95.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.7 m-85 -92.54 -11.64 33.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.0 t -61.52 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.7 ptpt -57.96 -23.59 54.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 68.3 m-85 -95.78 8.83 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.31 159.24 10.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 134.33 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -88.17 127.16 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -65.72 -29.2 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.93 113.62 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.2 t -114.19 123.95 50.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.2 t -117.42 149.52 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 42' ' ' LYS . 25.1 t -127.09 122.81 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.908 ' O ' HG21 ' A' ' 37' ' ' THR . 75.7 m-70 -118.27 147.02 43.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.579 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -61.37 82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 141.92 -26.94 2.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' O ' HG21 ' A' ' 37' ' ' THR . 15.2 p90 -156.58 -172.1 3.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.21 147.09 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.09 150.28 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 69' ' ' TYR . 54.2 t -138.89 122.05 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.2 tp60 -105.81 144.54 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 67' ' ' VAL . 38.6 m-85 -129.64 173.13 10.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.81 -36.97 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.72 138.04 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.5 -12.42 31.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -89.37 -44.74 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -51.97 -21.99 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -83.65 -62.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -44.44 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -58.2 -46.91 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -72.06 -27.56 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 30' ' ' VAL . 75.6 t -64.28 -63.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 79' ' ' VAL . 11.3 mt -74.01 -36.31 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -57.76 -32.41 65.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 25.1 mm-40 -102.12 -51.88 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.2 t30 -39.6 113.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.05 -18.39 8.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.06 157.21 35.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.739 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.91 143.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.59 116.14 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.34 -7.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 -3.76 17.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -108.86 135.23 50.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 92' ' ' LEU . 87.1 m -73.5 96.32 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.2 mt -39.29 113.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -90.43 100.61 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.4 mt -111.41 150.58 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.88 169.3 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.515 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.37 142.62 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.439 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -56.27 -68.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.86 84.29 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.43 127.78 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 112.27 49.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.23 21.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.63 150.28 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 61.07 125.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.96 119.93 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.48 153.31 6.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.1 p -155.24 171.64 19.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.11 -67.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -86.79 158.88 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.957 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 p -97.53 165.61 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.57 110.63 2.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -94.98 169.03 10.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.43 167.02 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 86.12 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttp -109.03 87.27 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 p -121.4 148.82 43.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.28 116.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -136.37 98.26 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.94 168.19 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.87 118.14 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.19 150.28 9.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -43.93 -35.37 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -179.24 -64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 17' ' ' VAL . 57.8 t 50.76 74.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -33.5 64.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 55.79 74.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.33 153.31 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -56.32 163.15 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.19 109.44 44.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.55 10.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -28.31 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.6 m -90.63 -24.86 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -73.66 -27.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -52.42 -42.88 64.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -142.11 98.9 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 30.3 ttm180 -150.2 156.38 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 79' ' ' VAL . 54.0 t -134.59 140.42 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 59.8 t80 -110.92 106.46 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -90.03 113.71 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -111.09 -169.85 19.1 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 12.6 t30 41.14 31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 37' ' ' THR . 21.1 tp -99.29 113.16 25.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -44.43 -32.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 35' ' ' LEU . 31.5 p 46.33 23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.77 -36.26 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.25 -38.13 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 HD13 ' A' ' 87' ' ' LEU . 2.1 t -73.72 126.72 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -101.89 -178.55 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -81.6 -38.29 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -63.96 -32.71 74.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.26 -65.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -45.71 -27.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.4 mm-40 -67.83 -51.78 44.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -67.25 -12.37 59.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.725 HG22 ' OE2' ' A' ' 82' ' ' GLU . 92.2 mt -83.84 -45.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 7.8 m-85 -91.97 -11.06 37.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' GLU . 19.2 t -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -61.31 -37.91 84.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.6 m-85 -74.31 -2.74 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.08 160.42 11.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.35 157.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -115.44 129.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 68' ' ' GLN . . . -58.27 -25.48 61.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.44 131.29 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 49.2 t -117.52 133.65 55.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -130.28 111.57 12.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG21 ' CA ' ' A' ' 42' ' ' LYS . 38.5 t -90.38 124.08 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.696 ' O ' HG21 ' A' ' 37' ' ' THR . 50.4 m-70 -118.23 161.64 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -74.9 93.24 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.52 -17.33 8.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 23.5 p90 -165.19 172.98 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.38 152.33 35.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' CYS . 36.6 m-85 -117.22 144.08 45.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 71.9 t -134.03 113.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.654 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -95.85 148.56 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 30.3 m-85 -132.61 168.65 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -26.03 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 0.6 OUTLIER -107.48 134.14 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.46 -13.36 20.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -90.83 -44.39 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 12.0 m170 -53.23 -24.64 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -80.04 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -43.06 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -59.1 -49.92 76.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 30' ' ' VAL . 78.1 t -64.73 -67.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.87 -37.34 70.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -54.11 -35.74 55.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' HG22 ' A' ' 48' ' ' ILE . 14.2 mm-40 -101.38 -52.77 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 19.2 t30 -38.91 110.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.18 -20.07 7.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.07 156.74 36.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.36 143.65 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -149.59 116.07 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.74 -2.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.77 21.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -125.79 132.9 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -71.25 100.2 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ARG . 63.4 mt -46.11 116.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 100.52 13.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.608 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.7 mt -113.04 151.99 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.04 171.94 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.625 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -79.42 134.22 36.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -52.21 -50.48 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.65 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -96.32 110.73 53.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.41 117.31 47.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.49 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.54 106.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 t -45.49 144.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.55 -158.16 7.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 107.41 2.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER 39.48 83.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.45 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -86.26 126.05 34.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 140.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 121.77 2.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -173.22 128.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.037 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -166.41 138.89 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.26 179.1 19.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.43 165.46 36.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -141.96 105.0 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tp -83.99 154.28 23.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -113.03 137.72 50.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.86 173.37 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -166.71 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.01 167.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.32 130.99 31.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -166.05 102.62 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.98 137.68 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.69 60.69 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -58.43 5.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -162.85 86.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -152.69 162.23 41.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.56 108.56 58.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.4 Cg_endo -75.01 -2.52 12.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -51.79 -54.99 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.0 p -64.15 -37.51 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 26' ' ' ILE . 4.8 mm -61.23 -30.63 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.7 t-20 -39.85 -57.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.52 98.96 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 6.4 ttt180 -148.29 155.57 41.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 79' ' ' VAL . 53.8 t -134.23 141.41 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -112.87 103.59 11.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mp -86.69 109.74 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.53 -172.22 22.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 7.3 t30 40.77 33.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 37' ' ' THR . 22.6 tp -97.76 111.95 24.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 8.0 t30 -42.74 -29.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 35' ' ' LEU . 25.0 p 41.73 25.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -108.06 -34.99 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.7 mt -112.23 -38.45 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.91 125.73 28.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -104.97 -178.73 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.8 tttm -76.61 -49.94 15.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -38.06 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.33 -70.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.1 p -43.73 -30.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.8 mm-40 -65.55 -52.57 51.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -69.31 -13.59 62.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.4 mt -80.27 -51.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -84.67 -33.7 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 10.0 t -40.53 -30.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 49' ' ' PHE . 14.0 mtmm -53.36 -47.16 69.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 60.6 m-85 -60.9 -20.95 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 143.1 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 123.35 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -83.18 134.29 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -63.18 -36.78 84.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.2 122.49 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.613 ' HB2' HG21 ' A' ' 55' ' ' VAL . 13.3 t -113.72 144.57 42.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -139.75 149.85 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.0 125.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' HG21 ' A' ' 37' ' ' THR . 67.4 m-70 -118.01 161.69 19.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.85 93.16 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.48 -24.13 7.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 32.2 p90 -156.39 177.34 11.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -152.64 152.87 32.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -113.91 160.87 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' ILE . 63.7 t -151.41 117.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.7 tp60 -101.79 142.22 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 71.2 m-85 -124.19 173.13 8.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 t -92.24 -38.81 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 3.1 m120 -106.81 154.28 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -70.33 -28.64 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.8 mtt-85 -77.74 -40.49 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 19.5 m170 -52.8 -21.18 3.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -90.12 -63.26 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.04 -43.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.17 74.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -70.42 -28.54 65.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 30' ' ' VAL . 74.8 t -60.91 -66.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.21 -43.97 66.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.25 -37.41 11.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 74.2 mm-40 -99.1 -55.86 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 25.1 t30 -39.3 116.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.44 -23.75 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.58 156.7 36.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.22 143.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.347 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.57 114.63 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.03 11.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.55 22.61 30.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -135.8 130.19 33.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.3 m -71.11 104.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ARG . 61.4 mt -50.35 115.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.54 100.11 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.3 mt -114.76 152.62 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -163.15 164.93 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.557 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.03 133.58 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -63.85 119.88 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.25 -56.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.25 114.35 41.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.0 162.68 19.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' ARG . 18.5 Cg_endo -75.0 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.57 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 65.64 163.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 p -108.55 133.04 53.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.04 163.93 15.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.81 37.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -151.8 134.56 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.12 121.95 40.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.83 148.03 48.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -161.5 99.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 114.68 1.1 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -145.18 97.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -149.55 119.11 6.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.23 159.35 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.3 mtm -135.56 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -149.31 91.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.33 172.6 7.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.29 132.06 16.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.42 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.96 119.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.62 146.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -92.21 -56.36 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 177.46 137.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t 57.33 99.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -68.56 135.55 51.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -103.95 -47.64 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -177.71 133.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 p30 178.03 138.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.28 109.67 63.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -5.72 17.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 138.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER 69.05 -58.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ASN . 4.9 mm -39.56 -30.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' SER . 64.4 t30 -39.84 -43.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.449 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 t -156.96 99.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 29.9 ttt180 -143.79 155.09 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 79' ' ' VAL . 22.4 t -134.97 144.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -115.1 103.76 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.9 mp -87.6 110.4 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.56 -169.42 21.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 90' ' ' GLN . 12.3 t30 40.24 41.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 0.726 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 37' ' ' THR . 14.5 tp -105.22 127.07 52.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ALA . 14.0 t30 -59.85 -27.39 66.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 35' ' ' LEU . 72.3 p 41.26 25.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.68 -34.55 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -115.07 -37.69 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.35 124.87 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -104.39 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.7 tttt -78.21 -47.08 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -32.54 69.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.33 -68.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.792 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.1 p -44.24 -30.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.0 mm-40 -62.31 -58.7 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.2 m -63.15 -14.58 50.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 45' ' ' VAL . 98.3 mt -78.81 -46.56 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.5 m-85 -92.24 -11.3 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLU . 46.1 t -63.39 -20.04 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.33 -27.35 68.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 53.7 m-85 -84.49 -2.92 58.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.92 163.9 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 129.61 41.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 58' ' ' CYS . 0.9 OUTLIER -92.01 128.31 43.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -57.88 -38.24 75.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.24 132.98 2.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB2' HG21 ' A' ' 55' ' ' VAL . 9.2 t -123.4 122.54 38.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -116.61 135.32 53.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.6 t -111.45 122.61 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 85.0 m-70 -114.81 162.14 17.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.73 94.7 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.503 ' H ' HG21 ' A' ' 37' ' ' THR . . . 119.57 -14.61 10.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 30.0 p90 -166.02 174.58 9.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.06 155.97 40.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -123.53 147.67 47.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 32' ' ' ILE . 98.7 t -134.79 130.25 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 28' ' ' SER . 38.2 tp60 -111.9 144.38 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 74' ' ' HIS . 46.5 m-85 -130.76 173.33 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -95.38 -35.68 11.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 137.16 45.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -57.46 -30.9 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -72.29 -42.11 65.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 17.3 m170 -52.14 -21.69 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.583 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -87.29 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.36 -42.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.39 74.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.14 -25.18 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 30' ' ' VAL . 72.4 t -65.81 -68.08 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.34 -37.65 74.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.35 -39.03 51.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.646 ' OE2' HG22 ' A' ' 48' ' ' ILE . 15.5 mm-40 -99.22 -53.32 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 10.8 t30 -38.03 117.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.78 -22.63 12.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.84 153.78 42.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.25 146.45 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.9 tt -149.5 114.4 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.52 -10.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.22 -21.69 5.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.9 mt-30 -92.55 146.05 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -83.88 99.88 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -41.94 112.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.37 100.44 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 17.9 mt -112.46 146.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -159.98 168.03 26.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.2 145.4 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -74.89 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.19 77.79 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.97 137.2 19.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 68.1 105.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.9 t70 46.86 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -66.96 107.76 2.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.7 m -56.77 -59.76 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.92 -147.7 38.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.95 29.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t -136.78 -57.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 118.67 34.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -153.89 158.16 40.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -173.56 159.99 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 114.72 1.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -161.17 119.2 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.56 149.63 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.86 152.75 18.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.16 92.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.77 124.64 14.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 167.53 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 154.47 41.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.7 -66.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.93 161.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.75 158.32 39.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.0 p -51.92 171.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.3 153.45 44.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.72 134.3 65.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.68 111.06 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.43 171.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -48.8 123.36 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -128.82 117.6 21.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.73 110.15 56.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -3.88 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -25.49 25.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.2 p -98.22 -35.37 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 mm -62.35 -23.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -40.76 -49.25 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.7 t -150.04 99.67 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.778 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.8 ttt180 -144.72 155.79 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 79' ' ' VAL . 47.9 t -134.36 143.04 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.12 96.69 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.4 mp -80.88 106.21 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.34 -174.58 25.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 45.35 31.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -94.63 118.06 31.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.429 ' C ' ' OG1' ' A' ' 37' ' ' THR . 7.1 t30 -51.52 -31.58 24.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.906 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.1 p 43.83 24.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.428 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.23 -36.74 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -110.69 -38.36 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.78 127.4 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -101.42 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -82.01 -42.7 18.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -59.88 -36.04 76.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -69.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.9 p -41.56 -35.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 4.6 mm-40 -59.66 -59.88 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -63.93 -21.55 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' VAL . 79.1 mt -71.42 -41.95 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 82' ' ' GLU . 5.5 m-85 -93.6 -16.64 24.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.4 t -59.37 -19.16 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.071 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -35.89 82.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 70.5 m-85 -79.8 4.69 15.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.79 168.6 12.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 139.49 48.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -93.84 134.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -77.47 -24.74 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.0 145.71 11.94 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -133.99 138.65 45.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.73 109.19 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 42' ' ' LYS . 78.3 t -96.24 124.47 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.906 ' O ' HG21 ' A' ' 37' ' ' THR . 68.3 m-70 -118.26 161.63 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.572 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 91.94 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.5 -13.99 8.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 21.7 p90 -165.05 173.96 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.71 148.52 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.23 151.61 29.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 32' ' ' ILE . 85.3 t -141.67 111.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 35.3 tp60 -94.44 144.4 25.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 67' ' ' VAL . 40.8 m-85 -128.58 173.16 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 p -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.517 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 4.8 m-20 -105.73 134.36 48.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.1 -18.52 58.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -87.45 -39.89 14.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 69' ' ' TYR . 18.0 m170 -53.74 -22.63 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.55 -64.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.9 -55.15 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -47.19 -48.18 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -69.76 -41.78 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 30' ' ' VAL . 96.0 t -48.49 -66.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.86 -41.4 68.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -49.69 -35.09 22.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.73 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.1 mt-10 -102.91 -55.21 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 6.9 t30 -38.41 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.74 -21.81 7.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 155.46 39.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -117.3 143.63 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.6 tt -149.51 116.14 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.92 -11.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.45 -16.8 7.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 25.1 mt-30 -98.4 146.59 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.6 m -82.16 101.04 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.9 mt -41.43 111.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 100.21 13.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.2 mt -113.19 153.58 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.21 167.24 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.85 137.8 44.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -75.1 125.85 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.48 -56.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -80.14 125.31 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 154.65 51.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.0 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -171.12 128.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.04 139.26 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.1 p -138.56 139.37 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.78 127.09 3.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.71 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.31 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 101.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 53.28 88.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 110.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.19 121.53 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.93 66.32 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.83 138.97 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.54 176.07 16.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ttm -172.35 116.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 0.727 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -157.18 159.37 37.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.97 146.79 37.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.32 -179.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.92 128.42 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.7 126.89 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 157.41 34.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 141.27 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -127.02 141.12 51.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.7 t -88.05 81.52 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 p -145.67 82.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 102.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.62 69.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -176.85 164.12 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.22 110.26 57.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -9.06 20.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.17 127.86 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER 77.53 -53.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' GLY . 3.8 mm -40.23 -30.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 25' ' ' SER . 3.2 t-20 -39.93 -60.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.2 m -134.45 99.71 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 14.4 ttt180 -148.78 151.47 34.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 45.9 t -130.09 142.51 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -111.4 101.47 9.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.552 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.1 mt -88.21 106.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -104.61 -169.23 24.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 4.8 t30 39.9 31.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HB3' HG23 ' A' ' 37' ' ' THR . 23.5 tp -93.36 113.62 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ALA . 10.3 t30 -43.01 -30.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.79 HG21 ' O ' ' A' ' 61' ' ' HIS . 6.0 p 40.95 26.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.03 -36.58 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.98 -37.72 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.97 123.82 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -103.11 -178.42 3.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -79.73 -40.59 28.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.2 m -62.22 -35.99 80.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -74.47 -65.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 42' ' ' LYS . 6.3 p -46.23 -30.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.6 mm-40 -63.97 -57.04 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -66.94 -20.34 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.42 HD13 HH22 ' A' ' 85' ' ' ARG . 88.3 mt -73.42 -51.96 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 82' ' ' GLU . 5.3 m-85 -81.35 -33.62 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.8 t -41.12 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.4 mtmt -53.44 -46.62 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 65.6 m-85 -63.81 -15.73 59.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.02 137.56 3.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.84 120.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -80.21 129.9 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.3 -36.78 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.84 132.89 2.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.3 t -122.08 149.83 43.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.422 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -145.11 113.44 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LYS . 40.8 t -92.99 124.68 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.79 ' O ' HG21 ' A' ' 37' ' ' THR . 46.7 m-70 -117.68 161.82 19.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -72.92 93.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.85 -26.45 5.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' HIS . 18.6 p90 -156.25 176.21 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.32 22.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -107.75 154.61 21.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 32' ' ' ILE . 95.0 t -144.15 121.89 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ALA . 38.4 tp60 -105.66 142.84 34.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 67' ' ' VAL . 86.5 m-85 -127.68 172.58 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -88.47 -41.02 13.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.78 156.44 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.92 -16.2 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -83.71 -44.84 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -51.53 -22.59 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.43 -62.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.78 -42.39 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.36 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.4 -26.88 64.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.9 t -64.34 -65.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.55 -43.64 72.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -47.52 -40.73 16.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 78.9 mm-40 -96.24 -56.08 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 5.9 t30 -36.56 132.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.24 -21.51 44.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.8 ttt180 -67.63 150.01 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -117.97 141.2 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.8 tt -149.45 119.93 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.17 -6.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.9 11.02 17.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -123.62 132.71 53.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.1 m -73.73 98.64 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 85' ' ' ARG . 66.3 mt -42.53 111.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.24 100.09 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 10.0 mt -114.6 154.17 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -163.27 160.32 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.475 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.71 137.78 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . -52.43 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 70.68 -95.0 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 114.38 43.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.24 113.36 1.84 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 170.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' PRO . 30.8 m-20 61.01 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -54.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.03 80.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.07 -145.37 12.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.69 15.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 p -134.1 152.4 51.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.59 -0.74 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -103.45 112.43 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -42.53 138.27 1.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.5 118.74 1.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -110.72 143.99 40.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.9 80.94 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.77 72.4 0.62 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.04 -55.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -142.66 85.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.71 -64.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.72 67.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt 71.59 -66.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.45 163.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 44.88 88.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -102.65 93.18 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 61.1 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.12 141.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -143.02 126.14 16.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -120.79 134.68 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -89.0 147.77 24.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.27 103.61 13.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.7 mttt -56.01 135.11 52.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER 85.69 -46.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -53.37 -24.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -43.06 -50.68 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.6 t -154.99 99.06 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 28.0 ttt180 -149.22 150.78 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 79' ' ' VAL . 89.3 t -129.21 136.06 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 34.2 t80 -113.44 99.08 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -81.93 111.25 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -109.09 -170.92 20.76 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.08 29.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 37' ' ' THR . 20.2 tp -93.46 117.89 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.4 t30 -48.41 -28.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 35' ' ' LEU . 51.9 p 40.0 27.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ASN . . . -107.77 -35.46 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.39 -37.62 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.0 120.33 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 -178.6 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 60' ' ' VAL . 2.3 tttt -82.71 -38.17 23.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -29.62 69.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -79.94 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 48' ' ' ILE . 7.7 p -48.83 -25.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.4 mm-40 -68.52 -48.18 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -72.09 -12.3 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 45' ' ' VAL . 94.2 mt -82.79 -45.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -90.92 -29.71 17.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 9.9 t -44.79 -29.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -38.76 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.681 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 47.6 m-85 -71.0 -11.23 60.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.93 159.1 8.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.53 126.15 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -85.45 140.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -70.37 -43.73 69.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.96 112.98 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.683 ' HB2' HG21 ' A' ' 55' ' ' VAL . 16.2 t -107.83 131.69 54.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' PHE . 75.3 m -131.01 145.86 52.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 42' ' ' LYS . 58.6 t -127.12 122.28 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.532 ' O ' HG21 ' A' ' 37' ' ' THR . 27.6 m-70 -118.04 157.94 25.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.583 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -69.97 87.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 37' ' ' THR . . . 134.19 -21.93 3.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.545 ' N ' HG21 ' A' ' 37' ' ' THR . 26.9 p90 -164.58 177.8 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.46 144.26 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' SER . 23.2 m-85 -109.89 152.96 25.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.718 HG12 ' CE2' ' A' ' 69' ' ' TYR . 79.1 t -144.89 105.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 29.9 tp60 -92.8 142.89 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.718 ' CE2' HG12 ' A' ' 67' ' ' VAL . 39.8 m-85 -127.04 171.26 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -94.43 -33.39 13.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 55.1 t-20 -106.84 133.7 51.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.24 -14.88 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -89.04 -44.1 10.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 71' ' ' ASN . 18.0 m170 -52.12 -24.02 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.54 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.67 -45.35 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -55.8 -51.88 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 52' ' ' TYR . . . -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.932 HG21 ' HG2' ' A' ' 96' ' ' MET . 91.9 t -62.68 -63.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.58 -40.45 69.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -52.33 -36.41 45.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 64.7 mm-40 -99.16 -53.56 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.2 t30 -39.11 119.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.66 -23.3 12.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.86 154.39 41.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 0.72 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.8 OUTLIER -118.24 143.75 28.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.49 111.68 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.19 12.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.78 22.22 34.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.7 mt-30 -134.27 129.04 35.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -70.54 101.95 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.457 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ARG . 89.9 mt -46.53 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 100.45 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.613 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 12.7 mt -111.83 154.61 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -155.92 160.76 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.932 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.5 53.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 29' ' ' ARG . . . 54.97 -89.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 96' ' ' MET . . . 82.63 -70.89 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.29 120.1 78.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -147.64 159.63 40.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -172.11 132.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -112.74 141.14 46.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -160.3 145.23 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.54 -135.64 7.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 89.88 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.6 p -154.91 95.93 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.94 142.1 38.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.62 142.39 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 163.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -99.1 0.19 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.24 168.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.57 151.04 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 120.08 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.07 103.76 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -107.36 88.94 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 162.87 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.16 130.49 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 165.4 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -57.65 122.89 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.02 128.7 28.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.26 84.17 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -60.15 101.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.86 129.87 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 120.45 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -137.92 153.17 49.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -43.34 -62.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.2 103.59 15.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.58 11.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.0 mptt -60.21 120.0 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.2 p 88.95 -22.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 5.1 mm -72.81 -23.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.34 -62.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 m -129.78 99.07 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 1.9 ttm180 -143.74 154.57 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 79' ' ' VAL . 33.1 t -131.36 142.99 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -115.28 101.61 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.517 ' CG2' HD22 ' A' ' 35' ' ' LEU . 2.9 mt -86.55 106.39 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -103.64 -171.39 25.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' GLY . 2.8 t30 39.77 38.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD22 ' CG2' ' A' ' 32' ' ' ILE . 14.8 tp -102.08 108.2 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' ALA . 12.6 t30 -41.72 -29.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.5 p 42.83 25.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.22 -36.32 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' CE ' ' A' ' 41' ' ' LYS . 9.7 mt -112.17 -36.62 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 118.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -96.79 -178.4 4.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 ttpt -81.45 -41.23 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -30.3 71.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 46' ' ' GLU . 5.8 m-20 -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.6 p -46.27 -25.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.7 mm-40 -68.08 -54.92 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -67.88 -12.35 60.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.8 mt -78.46 -50.57 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.9 m-85 -88.61 -33.66 17.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 26.9 t -41.4 -28.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' A' ' 49' ' ' PHE . 26.7 mtmt -53.74 -47.42 70.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.61 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 66.4 m-85 -61.59 -12.84 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.23 139.38 4.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.54 127.36 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.4 HG21 ' OE1' ' A' ' 46' ' ' GLU . 2.9 m -84.96 139.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -68.17 -43.35 78.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.23 133.66 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -118.81 139.02 52.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -147.6 131.15 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' A' ' 42' ' ' LYS . 12.1 t -120.15 124.06 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.746 ' O ' HG21 ' A' ' 37' ' ' THR . 50.5 m-70 -118.1 161.39 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.543 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -74.72 94.82 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.79 -22.28 6.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' HIS . 24.4 p90 -161.94 173.8 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -151.86 151.34 31.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -116.2 158.35 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.695 HG12 ' CE2' ' A' ' 69' ' ' TYR . 55.6 t -146.85 112.95 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.0 tp60 -96.28 142.23 28.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.695 ' CE2' HG12 ' A' ' 67' ' ' VAL . 58.4 m-85 -125.54 172.08 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -87.38 -40.93 13.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -106.45 153.36 22.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -89.29 -42.39 11.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -55.23 -23.06 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.21 -64.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -43.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.21 -50.63 72.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -71.1 -26.22 62.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.767 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -63.39 -65.04 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.96 -44.4 63.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -48.23 -35.86 15.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 67.5 mm-40 -99.64 -55.42 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 32.0 t30 -38.25 117.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.47 -22.47 11.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.84 151.08 47.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.238 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -114.28 145.01 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 tt -149.57 117.75 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.51 -10.65 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.18 -9.67 9.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -106.05 146.14 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -82.35 110.42 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 35' ' ' LEU . 73.0 mt -55.29 114.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.59 100.1 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.481 HD12 ' CB ' ' A' ' 82' ' ' GLU . 19.6 mt -112.91 147.47 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.69 165.92 27.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -73.34 139.3 45.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -66.12 -54.17 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.47 74.28 1.97 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.43 122.38 72.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 pttt -154.03 94.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 70.43 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.42 1.748 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 3.0 p30 158.74 162.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -104.91 -56.95 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.2 t 47.02 82.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.86 178.73 26.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.526 1.803 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.37 156.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.0 t 57.03 87.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -145.22 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.39 152.8 12.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.75 110.16 2.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -175.63 114.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -75.6 143.48 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.53 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.3 151.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.27 170.34 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.25 -52.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 61.35 -175.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.79 121.19 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -174.89 64.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.28 154.57 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -173.48 133.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.7 134.09 20.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.37 92.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 p -135.18 173.45 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.42 94.42 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.53 84.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -113.99 116.19 28.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -99.83 110.35 58.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -56.21 -28.22 57.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 26' ' ' ILE . 15.7 mm -66.25 -36.37 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.17 -49.9 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.9 t -150.55 99.64 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 22.1 ttm180 -147.22 156.08 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 HG22 ' A' ' 79' ' ' VAL . 41.1 t -135.58 143.43 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 71.3 t80 -115.28 106.2 13.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -89.94 112.73 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.98 -170.77 22.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 41.02 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 65' ' ' ALA . 22.0 tp -97.19 121.43 39.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.8 t30 -55.23 -32.45 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 61' ' ' HIS . 3.5 p 45.32 24.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.19 -35.24 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -111.55 -38.48 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.91 137.01 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -110.29 -178.26 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.4 tttm -80.53 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 t -51.31 -31.09 20.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.73 -62.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' A' ' 48' ' ' ILE . 4.2 p -55.91 -30.99 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.9 mt-10 -58.13 -55.96 28.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -65.5 -36.31 83.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 45' ' ' VAL . 45.8 mt -60.2 -37.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CE2' ' CD ' ' A' ' 82' ' ' GLU . 5.4 m-85 -93.59 -17.48 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' GLU . 10.8 t -59.16 -15.8 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 2.1 ptpt -68.01 -29.91 69.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' OE2' ' A' ' 82' ' ' GLU . 74.4 m-85 -84.09 -8.57 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.53 141.79 4.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.15 125.8 6.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -82.96 131.97 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.93 -33.36 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.57 122.99 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.47 ' O ' ' CE ' ' A' ' 42' ' ' LYS . 34.5 t -117.7 143.84 45.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -140.65 128.99 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 42' ' ' LYS . 97.0 t -109.82 117.69 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.567 ' O ' HG21 ' A' ' 37' ' ' THR . 20.3 m-70 -118.48 133.05 56.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -47.29 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 133.05 -27.53 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 3.1 p90 -161.6 -170.79 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -163.1 142.91 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.93 150.37 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 32' ' ' ILE . 61.8 t -140.54 112.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 36.9 tp60 -95.96 143.89 26.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 74.5 m-85 -127.94 173.72 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -99.27 -31.42 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -107.3 136.66 46.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.94 -27.14 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.66 -38.47 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CD2' ' CB ' ' A' ' 71' ' ' ASN . 18.2 m170 -55.47 -19.1 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -78.99 -74.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -36.2 -54.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -46.48 -54.04 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB1' ' OE2' ' A' ' 82' ' ' GLU . . . -67.95 -38.73 83.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ALA . 97.9 t -51.88 -68.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.9 mp -69.4 -44.92 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.523 ' HA3' ' CE1' ' A' ' 52' ' ' TYR . . . -46.07 -41.52 11.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.722 ' OE2' ' HB1' ' A' ' 78' ' ' ALA . 2.7 mt-10 -95.6 -56.81 2.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 29.4 t30 -38.38 120.33 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.37 -23.19 14.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.72 157.11 35.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.83 144.3 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.4 tt -149.26 115.99 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.59 -10.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.81 -16.0 7.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -98.62 144.11 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -82.12 104.35 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' ARG . 77.7 mt -46.04 109.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.5 100.37 13.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -112.62 153.72 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -161.51 168.93 22.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 146.41 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -63.46 -53.79 46.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.28 72.83 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.71 118.27 71.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -54.57 154.04 9.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.32 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -105.29 141.24 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 15.1 ttm105 -98.53 104.6 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.22 144.97 22.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 126.16 121.66 2.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 59.9 5.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.12 126.23 52.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.6 t -163.64 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -123.77 169.94 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -131.06 138.23 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 74.86 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.83 80.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -128.51 122.26 30.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.14 -146.86 12.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mtt 60.48 112.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -40.48 124.87 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.04 140.81 17.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -51.14 143.23 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -122.98 166.71 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.46 63.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.18 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 152.58 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -162.31 155.26 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.42 125.97 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -91.23 131.72 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -55.98 160.18 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.37 106.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.73 159.84 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 103.44 51.16 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.77 19.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -28.4 36.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 21.6 m -87.89 -32.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.4 -29.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.63 -58.54 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -133.28 98.8 4.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 19.3 ttm180 -144.01 155.98 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 79' ' ' VAL . 34.2 t -133.49 142.59 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -117.26 100.55 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.6 mp -83.87 102.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 35' ' ' LEU . . . -103.75 -173.53 25.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 10.3 t30 41.19 30.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 37' ' ' THR . 23.0 tp -93.42 111.43 23.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 4.8 t30 -43.01 -32.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' LEU . 15.1 p 46.34 22.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.13 -36.44 6.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.74 -39.38 5.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' HB ' ' A' ' 45' ' ' VAL . 2.4 t -70.7 120.3 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.52 -178.99 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HZ3' HG23 ' A' ' 60' ' ' VAL . 5.2 tttp -78.57 -51.13 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -30.0 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 46' ' ' GLU . 51.4 m-20 -79.14 -70.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.742 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.7 p -42.04 -28.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 44' ' ' ASP . 2.3 mm-40 -68.3 -57.13 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -65.68 -12.55 54.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.4 mt -77.49 -49.77 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 6.7 m-85 -89.23 -31.47 17.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -47.05 -25.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -29.31 66.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 58.9 m-85 -81.71 -7.24 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.58 136.75 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 124.42 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 m -80.7 134.55 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -66.85 -36.91 83.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' GLN . . . -144.11 140.59 9.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.3 p -131.45 135.92 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.622 ' N ' ' HZ1' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -147.05 119.69 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG23 ' HZ3' ' A' ' 42' ' ' LYS . 5.1 t -103.44 126.63 57.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 37' ' ' THR . 44.8 m-70 -118.69 161.92 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 95.08 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.22 -21.02 10.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 18.1 p90 -155.99 176.24 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -153.16 145.42 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.55 143.93 43.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 32' ' ' ILE . 62.2 t -134.88 139.44 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' ALA . 36.7 tp60 -121.55 144.79 48.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 65.0 m-85 -128.49 169.92 13.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -89.1 -38.93 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.58 152.02 24.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -73.83 -12.27 60.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -87.79 -43.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -55.05 -24.36 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.585 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -85.21 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.75 76.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -69.36 -30.38 68.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 30' ' ' VAL . 73.5 t -58.38 -69.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -69.24 -44.76 71.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -45.27 -37.12 5.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 65.1 mm-40 -100.73 -56.76 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 13.2 t-20 -38.84 114.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.26 -24.53 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -67.82 153.46 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -119.65 145.28 26.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.63 116.35 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 85.5 1.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.61 16.55 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -130.16 130.87 45.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -73.53 108.22 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 35' ' ' LEU . 74.6 mt -54.02 117.06 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 100.28 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 30' ' ' VAL . 17.0 mt -114.34 146.73 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -161.57 167.1 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.88 138.0 40.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -54.66 -50.2 68.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.68 83.1 0.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.67 125.75 70.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -99.75 118.54 61.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.07 18.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -102.22 110.39 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -158.44 101.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.24 -59.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.46 169.46 30.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -77.71 157.13 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.16 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.069 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -87.3 103.12 15.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 0.754 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -125.81 168.59 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -133.81 1.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -94.46 83.97 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -161.81 132.71 5.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 178.27 15.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -108.23 -56.9 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.52 96.8 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' SER . 10.1 mp -115.71 139.46 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 57.23 106.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.83 165.39 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.17 118.12 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.62 138.16 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -68.69 133.08 47.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.44 179.22 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -47.96 166.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.2 p -71.96 -44.07 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 176.51 157.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -145.51 148.24 33.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.45 86.01 7.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.07 103.64 12.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.86 19.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.62 -31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -84.94 -37.51 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.17 -37.7 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.08 -60.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -137.97 99.07 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 21.2 ttm180 -149.86 156.16 41.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 79' ' ' VAL . 52.6 t -134.58 143.15 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 54.2 t80 -113.4 104.86 12.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 67' ' ' VAL . 3.5 mp -88.75 115.53 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -108.65 -169.76 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.0 t30 40.21 41.05 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 92' ' ' LEU . 17.3 tp -105.98 118.04 35.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' ALA . 16.2 t30 -53.79 -27.35 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.978 HG21 ' O ' ' A' ' 61' ' ' HIS . 1.2 p 43.06 24.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.61 -36.52 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.5 -34.44 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.0 t -74.91 123.96 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -98.66 -178.51 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.3 tttt -82.42 -39.99 21.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.13 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -58.56 3.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . 9.3 p -54.86 -29.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 55' ' ' VAL . 2.5 mm-40 -60.58 -57.72 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -62.94 -28.26 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.5 mt -64.09 -46.59 93.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 32' ' ' ILE . 7.0 m-85 -90.48 -12.44 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 32.4 t -60.17 -24.53 64.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CE ' ' O ' ' A' ' 48' ' ' ILE . 1.3 ptpm? -58.54 -23.77 59.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 82' ' ' GLU . 67.6 m-85 -93.65 3.93 54.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.85 160.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 134.21 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG22 ' OE1' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -91.32 128.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' GLN . . . -60.58 -38.0 83.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.16 119.95 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 67' ' ' VAL . 10.9 t -115.32 134.67 54.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' PHE . 58.4 m -123.0 148.99 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.23 120.86 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.978 ' O ' HG21 ' A' ' 37' ' ' THR . 61.7 m-70 -118.43 143.69 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 83.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' HIS . . . 140.1 -22.64 2.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 61' ' ' HIS . 21.3 p90 -163.97 177.16 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB2' HD23 ' A' ' 35' ' ' LEU . . . -150.12 147.66 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' SER . 26.4 m-85 -114.72 151.46 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 32' ' ' ILE . 64.3 t -138.75 118.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.1 tp60 -103.81 141.89 35.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG12 ' A' ' 67' ' ' VAL . 32.6 m-85 -126.4 173.16 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -89.76 -37.6 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.63 147.28 29.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.21 -11.86 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -89.95 -38.36 13.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -58.96 -19.09 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -82.96 -64.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.61 -41.98 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.32 74.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . . . -71.0 -25.75 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 30' ' ' VAL . 69.0 t -63.98 -70.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.97 -40.71 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.25 -35.34 34.47 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 mm-40 -99.33 -55.4 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.3 t-20 -38.93 112.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.64 -27.41 5.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.49 151.06 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -112.23 145.05 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.2 tt -149.51 117.6 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 87.74 -13.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.68 -16.75 6.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.8 mt-30 -100.85 152.34 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.3 m -85.33 111.57 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ARG . 41.6 mt -51.85 109.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 99.48 12.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 14.3 mt -110.53 155.84 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -162.94 163.1 26.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.444 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.04 141.88 50.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -62.5 -54.9 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.82 56.93 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 63.9 tt0 -116.16 132.07 23.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 99' ' ' GLU . 18.4 Cg_endo -75.01 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.5 114.78 1.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.44 5.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.38 118.45 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 151.87 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -141.48 121.93 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.37 41.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.22 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.1 100.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -163.69 146.54 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.29 109.23 12.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.61 -57.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.84 150.36 6.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -152.72 91.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 m -59.13 160.36 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.43 141.9 9.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -137.19 151.87 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.44 109.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -153.76 81.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.98 165.54 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.36 143.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -163.11 127.6 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.2 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.92 -58.61 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.87 129.96 41.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.92 176.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -134.65 154.42 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -120.38 -50.17 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -63.08 170.83 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 57.17 175.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.95 107.13 55.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.98 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -59.34 -21.45 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.0 m -101.39 -36.61 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 2.7 mm -59.28 -40.62 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -40.73 -64.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 1.4 m -130.6 99.22 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' HG2' ' HB2' ' A' ' 97' ' ' ALA . 11.7 ttm180 -147.03 156.1 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 79' ' ' VAL . 73.4 t -133.95 140.98 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -112.98 98.99 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -81.59 103.98 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.65 -170.68 25.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 42.99 35.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.82 124.06 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' OG1' ' A' ' 37' ' ' THR . 9.9 t30 -59.26 -31.17 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.839 HG21 ' O ' ' A' ' 61' ' ' HIS . 2.9 p 46.03 22.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.39 -34.84 6.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.22 -32.05 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.92 134.23 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -178.32 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 45' ' ' VAL . 3.7 ttpt -80.39 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -46.62 -26.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.85 -71.51 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.2 p -43.81 -45.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' OE1' HG21 ' A' ' 55' ' ' VAL . 78.7 mm-40 -54.03 -43.3 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 m -71.07 -14.28 62.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -86.44 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 6.4 m-85 -86.6 -28.97 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -45.5 -26.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 49' ' ' PHE . 6.7 mtmm -56.92 -43.77 81.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 62.1 m-85 -65.49 -20.4 66.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.67 143.66 4.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 134.54 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' OE1' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -90.18 128.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 68' ' ' GLN . . . -66.0 -35.97 82.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 145.68 14.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' CB ' ' OE2' ' A' ' 46' ' ' GLU . 4.7 p -133.88 136.8 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.413 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -147.08 108.4 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -97.14 124.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.839 ' O ' HG21 ' A' ' 37' ' ' THR . 16.1 m-70 -118.32 161.69 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 6.8 pttm -76.57 92.99 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.91 -15.16 7.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 20.8 p90 -165.13 175.27 9.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 0.81 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ILE . . . -149.76 145.15 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -114.12 142.9 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 32' ' ' ILE . 73.3 t -134.2 123.93 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.586 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 41.7 tp60 -107.3 144.47 34.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 67' ' ' VAL . 94.8 m-85 -128.14 169.15 14.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 t -82.49 -43.43 17.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -106.65 153.79 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -84.07 -42.38 16.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.58 -15.65 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -88.56 -62.91 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -42.08 -43.27 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.45 93.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -75.57 -22.69 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 30' ' ' VAL . 71.9 t -68.15 -67.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 80' ' ' LEU . 5.0 mp -67.51 -50.25 59.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.0 -42.23 2.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 79.9 mm-40 -94.99 -59.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 82' ' ' GLU . 15.2 t-20 -33.19 120.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.1 -15.29 30.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -68.12 158.17 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -120.75 141.23 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 tt -149.6 116.77 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 83.14 -5.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.09 -19.31 9.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 4.0 mt-30 -93.3 144.39 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -83.34 99.08 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 85' ' ' ARG . 37.6 mt -41.55 113.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.55 100.43 13.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.592 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -111.67 149.86 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.23 168.72 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.531 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -77.49 137.22 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' ' 29' ' ' ARG . . . -54.45 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.2 94.04 0.8 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -136.45 133.26 19.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.414 1.744 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -124.12 144.03 44.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.57 24.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -137.33 -61.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -132.27 96.98 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -66.83 -54.96 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 149.41 177.15 23.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 73.44 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.32 88.26 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 m 60.04 151.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -120.79 165.44 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -47.21 105.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.17 -100.47 1.49 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -148.68 100.32 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -161.97 124.22 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 -107.44 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.3 ptm -99.39 156.96 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.16 141.42 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.96 153.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 157.46 19.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.41 142.78 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 61.13 93.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.48 169.61 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -132.43 80.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -99.31 161.5 13.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.75 58.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -133.07 -51.94 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.11 90.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.4 -55.9 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.69 113.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.26 104.15 16.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.3 Cg_endo -74.98 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.25 -38.27 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 49.2 m -83.26 -26.06 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 26' ' ' ILE . 5.5 mm -69.93 -23.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -44.19 -42.49 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.0 t -157.52 102.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 97' ' ' ALA . 2.5 ttt180 -145.09 156.38 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 79' ' ' VAL . 24.8 t -135.25 143.3 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 47.9 t80 -117.96 103.36 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.0 mt -88.34 113.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -109.0 -166.79 20.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 7.3 t30 40.18 35.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 37' ' ' THR . 18.5 tp -100.96 126.87 47.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ALA . 10.2 t30 -60.75 -31.15 70.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' LEU . 63.0 p 45.4 23.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.12 -34.18 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mt -112.47 -37.96 4.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t -72.66 128.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -105.12 -178.55 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 45' ' ' VAL . 15.7 tttt -80.38 -52.0 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -54.5 -20.71 8.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.87 -61.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 42' ' ' LYS . 9.3 p -55.82 -25.51 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.7 mm-40 -66.61 -61.11 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 50' ' ' SER . 7.8 m -60.59 -30.47 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' VAL . 78.0 mt -60.64 -47.37 93.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 32' ' ' ILE . 6.2 m-85 -90.75 -11.25 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.3 t -62.47 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -56.89 -25.93 57.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 78' ' ' ALA . 29.3 m-85 -87.03 8.44 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.69 155.95 10.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.78 128.1 34.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -79.93 143.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' GLN . . . -82.76 -17.54 43.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.46 116.36 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.96 ' SG ' HG13 ' A' ' 67' ' ' VAL . 1.3 m -109.45 130.99 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.84 123.54 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 42' ' ' LYS . 44.0 t -99.26 125.4 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.671 ' CG ' ' CE2' ' A' ' 64' ' ' TYR . 33.0 m-70 -118.29 162.68 17.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.624 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.8 95.33 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' H ' HG21 ' A' ' 37' ' ' THR . . . 117.49 -17.35 12.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.671 ' CE2' ' CG ' ' A' ' 61' ' ' HIS . 16.6 p90 -158.06 177.62 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.75 143.48 17.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -108.26 157.05 18.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.96 HG13 ' SG ' ' A' ' 58' ' ' CYS . 46.9 t -146.36 115.87 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' CG ' ' HB3' ' A' ' 56' ' ' ALA . 33.5 tp60 -99.32 143.44 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 68' ' ' GLN . 38.8 m-85 -126.37 172.67 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -87.41 -40.18 14.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.35 137.72 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.47 -13.75 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -86.88 -48.94 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -43.87 -29.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.31 -28.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.58 -46.49 26.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . . . -73.29 -23.21 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 30' ' ' VAL . 90.7 t -66.05 -68.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 80' ' ' LEU . 6.5 mp -68.3 -50.35 54.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.15 -40.73 3.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 8.1 mm-40 -95.13 -57.54 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 9.4 t30 -35.58 115.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.02 -15.94 18.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.88 157.66 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 1.2 p -122.78 140.87 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.3 tt -149.46 116.81 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 84.28 -5.67 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.45 -18.47 10.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 3.6 mt-30 -94.32 142.49 27.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.4 m -82.72 99.28 9.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ARG . 47.2 mt -41.78 110.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.45 100.22 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' A' ' 82' ' ' GLU . 9.9 mt -110.24 151.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.18 160.24 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.447 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -71.16 139.75 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . . . -50.97 -62.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.35 90.95 1.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.48 126.45 28.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.572 1.827 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -44.03 102.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.82 19.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.99 143.53 22.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 179.54 146.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.14 157.41 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.33 154.33 18.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.54 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t 59.3 103.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t 50.04 90.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.19 165.79 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -167.74 153.5 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 -131.48 6.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 178.16 124.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -105.22 136.73 44.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.22 77.97 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.09 137.93 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.97 148.71 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.39 167.19 21.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.32 139.53 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.25 140.03 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -137.46 92.34 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.45 163.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -65.32 106.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -122.54 117.72 26.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -76.26 88.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -116.46 129.36 56.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.18 114.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.29 103.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.92 103.67 48.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' SER . 18.4 Cg_endo -74.96 -2.29 12.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' SER . 10.7 mmtt -67.32 74.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER 160.44 -38.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.15 -26.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -40.62 -49.67 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' ' HB2' ' A' ' 75' ' ' ALA . 8.6 t -154.75 99.68 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.678 ' HB3' ' HB3' ' A' ' 97' ' ' ALA . 3.3 ttm180 -140.17 154.63 47.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 79' ' ' VAL . 66.5 t -133.38 140.55 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -110.07 103.09 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 67' ' ' VAL . 2.7 mp -86.67 108.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ASN . . . -107.06 -173.94 22.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.7 t30 40.17 48.15 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' THR . 26.5 tp -114.49 110.66 20.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 38' ' ' ALA . 7.1 t30 -39.48 -30.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.693 HG21 ' O ' ' A' ' 61' ' ' HIS . 13.4 p 41.84 25.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 36' ' ' ASN . . . -107.53 -36.92 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.14 -38.52 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.21 124.87 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -101.52 -178.54 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -80.72 -38.55 28.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 p -63.54 -39.75 95.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.77 -65.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.4 p -46.18 -29.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 3.3 mm-40 -63.98 -56.77 12.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 45' ' ' VAL . 89.7 mt -74.68 -53.17 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 82' ' ' GLU . 5.7 m-85 -82.86 -33.13 27.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.6 t -39.75 -30.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' PHE . 19.8 mtmt -53.15 -48.77 67.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 78' ' ' ALA . 66.1 m-85 -60.98 -17.97 54.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.6 148.3 5.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.25 124.15 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 58' ' ' CYS . 1.1 m -85.52 131.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.17 89.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.63 124.05 1.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB2' HG21 ' A' ' 55' ' ' VAL . 5.5 t -112.31 136.66 51.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -130.79 136.1 48.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 42' ' ' LYS . 34.1 t -112.79 123.78 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.693 ' O ' HG21 ' A' ' 37' ' ' THR . 31.0 m-70 -117.63 157.48 26.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.51 90.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.55 -15.93 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 22.5 p90 -166.16 172.21 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.83 153.23 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -120.83 144.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.762 HG23 ' CD1' ' A' ' 32' ' ' ILE . 88.6 t -135.54 123.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 69' ' ' TYR . 37.4 tp60 -107.28 145.48 32.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 78' ' ' ALA . 79.3 m-85 -128.18 173.37 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 p -94.86 -33.76 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 74' ' ' HIS . 67.4 m-20 -106.49 141.26 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.47 -16.39 62.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -89.54 -43.84 10.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 71' ' ' ASN . 18.8 m170 -48.59 -24.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -84.28 -63.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.14 73.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . . . -70.28 -25.62 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.673 HG22 HG22 ' A' ' 30' ' ' VAL . 76.8 t -63.32 -66.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -71.52 -43.99 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . -47.39 -35.83 10.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mm-40 -101.07 -55.43 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 38.5 t-20 -38.77 117.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.86 -23.16 11.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -67.74 156.8 36.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -116.85 146.27 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 4.2 tt -149.11 115.68 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 86.71 -12.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.07 -10.68 7.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -105.17 146.02 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -80.82 109.42 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 87' ' ' LEU . 54.5 mt -52.39 116.01 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.4 99.76 12.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.597 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 23.2 mt -113.7 147.27 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.32 164.75 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.408 ' HG2' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.02 137.05 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . . . -71.06 127.46 32.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.78 57.58 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -94.25 128.95 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -81.18 125.77 78.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.16 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.5 t70 72.86 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.25 103.84 13.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.2 p -140.87 104.17 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.61 -172.33 48.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.26 2.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.7 m -103.17 111.45 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.053 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 0 0 . 1 stop_ save_