data_2lhh_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 2lhh _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 ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.33 -0.619 . . . . 72.329999999999998 109.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.109999999999999 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 75.129999999999995 110.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.219999999999999 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.140000000000001 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ALA . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.439999999999998 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' GLU . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.140000000000001 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 74.129999999999995 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.651 ' CE2' ' CD2' ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.430000000000007 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 75.140000000000001 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 65.299999999999997 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.409999999999997 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 64.219999999999999 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.329999999999998 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.109999999999999 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.329999999999998 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.310000000000002 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.530000000000001 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.420000000000002 109.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.540000000000006 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' LEU . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.530000000000001 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.549999999999997 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 73.340000000000003 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 74.150000000000006 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.439999999999998 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 72.150000000000006 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 74.329999999999998 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 75.230000000000004 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.200000000000003 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.310000000000002 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.549999999999997 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.239999999999995 109.335 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.469 ' CE ' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.120000000000005 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.099999999999994 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.549999999999997 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 72.109999999999999 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.120000000000005 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.349999999999994 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.409999999999997 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.310000000000002 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG12 ' CE ' ' A' ' 52' ' ' MET . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.450000000000003 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.25 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 62.32 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 74.049999999999997 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.982 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.667 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.450000000000003 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.549999999999997 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.530000000000001 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.432 ' HE2' ' CD1' ' A' ' 105' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 73.140000000000001 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.1 mp0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.310000000000002 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.31 -0.626 . . . . 74.150000000000006 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.540000000000006 110.304 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.329999999999998 109.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.349999999999994 110.997 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ASP . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.150000000000006 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.439999999999998 109.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.120000000000005 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 90' ' ' LYS . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.209999999999994 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 75.030000000000001 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.439999999999998 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 71.329999999999998 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.100000000000001 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 75' ' ' GLN . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.430000000000007 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.568 ' CB ' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.030000000000001 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.200000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 6.3 m-70 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 75.450000000000003 109.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 64.030000000000001 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.651 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.510000000000005 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 HD11 ' CD2' ' A' ' 39' ' ' LEU . 8.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.340000000000003 109.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 74.409999999999997 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.010000000000005 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.430000000000007 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 63.200000000000003 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.329999999999998 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.229999999999997 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.510000000000005 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.420000000000002 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.510000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.450000000000003 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.540000000000006 111.012 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.409999999999997 109.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 64.409999999999997 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 71.150000000000006 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.430000000000007 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 71.219999999999999 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.099999999999994 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.468 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.409999999999997 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 75.109999999999999 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.219999999999999 110.253 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.439999999999998 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 62.25 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.32 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.504 ' CE ' ' CD2' ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 64.439999999999998 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 62.219999999999999 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.129999999999995 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.299999999999997 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' CD2' ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.099999999999994 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.120000000000005 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.030000000000001 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.010000000000005 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 29' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.439999999999998 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.530000000000001 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 71' ' ' LEU . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 64.040000000000006 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.25 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 74.120000000000005 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.010000000000005 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.109999999999999 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.409999999999997 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 75.310000000000002 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG21 ' CG2' ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.239999999999995 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.943 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.530000000000001 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.492 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.219999999999999 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.519999999999996 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.420000000000002 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 74.129999999999995 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.461 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.6 mt-30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 51.229999999999997 110.281 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.9 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 75.030000000000001 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.209999999999994 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.209999999999994 110.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.439999999999998 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.120000000000005 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CE ' ' HA2' ' A' ' 98' ' ' GLY . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 65.219999999999999 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.540000000000006 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.482 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.219999999999999 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.140000000000001 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 60.130000000000003 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 74.540000000000006 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' CD2' ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.129999999999995 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.350000000000001 109.334 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' ND2' ' A' ' 95' ' ' ASN . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.430000000000007 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 71.400000000000006 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 18' ' ' LEU . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.099999999999994 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 63.009999999999998 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.684 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 74.25 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.420000000000002 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 70.349999999999994 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.337 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.298 -0.63 . . . . 74.540000000000006 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 75.299999999999997 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.030000000000001 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.439999999999998 109.247 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.010000000000005 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.25 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.049999999999997 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.439999999999998 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 71.319999999999993 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.140000000000001 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.329999999999998 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.329999999999998 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.109999999999999 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.439999999999998 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.219999999999999 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 75.430000000000007 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 75.25 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.420000000000002 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.400000000000006 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.340000000000003 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.219999999999999 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.293 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.120000000000005 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.476 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.549999999999997 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.25 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.200000000000003 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.120000000000005 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.530000000000001 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.350000000000001 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 74.140000000000001 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.340000000000003 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.540000000000006 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 75.430000000000007 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.299999999999997 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.430000000000007 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.140000000000001 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 74.340000000000003 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.439999999999998 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.530000000000001 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.109999999999999 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 73.010000000000005 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.230000000000004 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 72.120000000000005 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' ' HE1' ' A' ' 52' ' ' MET . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.340000000000003 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 111.027 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.549999999999997 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.209999999999994 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.230000000000004 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.409999999999997 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.109999999999999 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.443 ' CG ' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 72.109999999999999 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.540000000000006 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 86' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 72.200000000000003 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 73.140000000000001 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' ASP . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.040000000000006 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CG ' HG23 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 75.439999999999998 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 73.129999999999995 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 73.540000000000006 109.278 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.430000000000007 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 43.520000000000003 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.443 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.439999999999998 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.349999999999994 109.278 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.310000000000002 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.420000000000002 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 64.099999999999994 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 74.400000000000006 110.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.040000000000006 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 9.1 m-70 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.540000000000006 109.621 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 HG23 ' CG ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.25 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 61.130000000000003 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.31 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 72.450000000000003 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 74.310000000000002 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.099999999999994 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.510000000000005 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.681 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.450000000000003 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 62.539999999999999 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.329999999999998 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 64.209999999999994 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.450000000000003 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 16' ' ' PHE . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.129999999999995 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 18' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 35' ' ' VAL . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.230000000000004 109.306 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 74.049999999999997 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.409999999999997 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 75.430000000000007 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.140000000000001 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 63.219999999999999 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 65.319999999999993 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 64.129999999999995 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 63.350000000000001 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 73.530000000000001 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 70.409999999999997 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 74.129999999999995 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' A' ' 112' ' ' ILE . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.340000000000003 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 73.310000000000002 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 72.129999999999995 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.340000000000003 109.346 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.459 ' CE ' HG12 ' A' ' 63' ' ' ILE . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 73.209999999999994 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.319999999999993 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 63' ' ' ILE . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 65.549999999999997 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.099999999999994 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.010000000000005 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' N ' ' ND1' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.210000000000001 110.298 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 HG12 ' CE ' ' A' ' 52' ' ' MET . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.450000000000003 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' ' CG2' ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.540000000000006 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.439999999999998 110.246 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.349999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 9' ' ' ILE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 74.450000000000003 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.229999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.239999999999995 109.955 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.140000000000001 110.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 73.129999999999995 109.328 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 72.230000000000004 109.275 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 85' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.350000000000001 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' CE ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 74.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CA ' HG13 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 74.319999999999993 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.510000000000005 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.409999999999997 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 75.109999999999999 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.329999999999998 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 72.019999999999996 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.302 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.439999999999998 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.539999999999999 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.483 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.019999999999996 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 65.310000000000002 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.329999999999998 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.540000000000006 109.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 12.1 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 74.230000000000004 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.519999999999996 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.209999999999994 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG2' ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.209999999999994 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 72.230000000000004 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 4' ' ' LEU . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.129999999999995 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' NZ ' ' CG2' ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 72.230000000000004 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.329999999999998 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 109.338 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.230000000000004 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD2' HG12 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 73.519999999999996 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.040000000000006 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.420000000000002 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.450000000000003 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.349999999999994 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 72.519999999999996 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 65.209999999999994 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.109999999999999 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 73.129999999999995 109.348 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.43 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG12 ' CD2' ' A' ' 19' ' ' PHE . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 72.140000000000001 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.413 ' HE3' ' CD2' ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.409999999999997 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.439999999999998 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 62.439999999999998 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.119999999999997 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.230000000000004 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.519999999999996 111.0 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' GLU . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 60.140000000000001 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.340000000000003 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.430000000000007 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.099999999999994 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 73.129999999999995 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 73.019999999999996 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 71' ' ' LEU . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.010000000000005 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.310000000000002 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.230000000000004 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.539999999999999 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.140000000000001 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.109999999999999 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.420000000000002 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.430000000000007 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.200000000000003 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.430000000000007 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 110.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.049999999999997 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.531 ' CD2' ' NH2' ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.547 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.531 ' NH2' ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 71.230000000000004 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.456 ' CB ' HD13 ' A' ' 99' ' ' LEU . 19.1 mp0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 110.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.287 -0.635 . . . . 65.420000000000002 109.287 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.510000000000005 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 71.510000000000005 109.304 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.439999999999998 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 108' ' ' VAL . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.340000000000003 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 62.310000000000002 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 73.310000000000002 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.310000000000002 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD13 ' CB ' ' A' ' 75' ' ' GLN . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.420000000000002 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 75.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.030000000000001 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD13 ' CG ' ' A' ' 72' ' ' MET . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.019999999999996 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' NZ ' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.340000000000003 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 92' ' ' PHE . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 65.109999999999999 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.239999999999995 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.150000000000006 109.36 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 40.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 75.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.450000000000003 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 73.439999999999998 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.310000000000002 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' GLN . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.450000000000003 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.439999999999998 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD2' HD21 ' A' ' 32' ' ' LEU . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.510000000000005 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 72.519999999999996 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.439999999999998 109.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.329999999999998 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.120000000000005 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.420000000000002 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 75.200000000000003 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 16' ' ' PHE . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.299999999999997 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.409999999999997 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.420000000000002 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 72.329999999999998 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.109999999999999 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 74.349999999999994 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.230000000000004 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 64.519999999999996 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.209999999999994 109.34 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 75.439999999999998 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.229999999999997 111.052 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.430000000000007 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 53.25 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 63.329999999999998 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LEU . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.451 ' CE ' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.409999999999997 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.329999999999998 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.308 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 75.129999999999995 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 71.209999999999994 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.400000000000006 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 HG12 ' CE ' ' A' ' 52' ' ' MET . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.209999999999994 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.420000000000002 111.039 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.519999999999996 110.294 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 69' ' ' LEU . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.299999999999997 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.512 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 71.450000000000003 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.099999999999994 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' CD ' HD12 ' A' ' 85' ' ' LEU . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.049999999999997 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 86' ' ' LEU . 19.2 mp0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 72.329999999999998 110.312 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 74' ' ' ARG . 2.8 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 75.439999999999998 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.299999999999997 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 85' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.510000000000005 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.140000000000001 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 75.030000000000001 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 53.399999999999999 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.230000000000004 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 72.200000000000003 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.430000000000007 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.509999999999998 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.420000000000002 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.329999999999998 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 64.510000000000005 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.519999999999996 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.099999999999994 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 74.450000000000003 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 65.439999999999998 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.301 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.257 -0.646 . . . . 74.340000000000003 109.257 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.120000000000005 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.030000000000001 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.230000000000004 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 62.439999999999998 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 9' ' ' ILE . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 70.150000000000006 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ALA . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.149999999999999 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 74.109999999999999 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 71.040000000000006 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.120000000000005 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 74.140000000000001 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 73.409999999999997 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 74.329999999999998 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.119999999999997 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.409999999999997 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 73.409999999999997 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.445 ' CA ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.129999999999995 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 71.530000000000001 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.120000000000005 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 75.109999999999999 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 74.25 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.329999999999998 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.5 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 64.340000000000003 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.150000000000006 109.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 75.219999999999999 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.506 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 71.230000000000004 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.420000000000002 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.319999999999993 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG11 ' CA ' ' A' ' 29' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.129999999999995 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.420000000000002 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 73.200000000000003 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' CE ' HG12 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 65.430000000000007 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 71' ' ' LEU . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.409999999999997 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.129999999999995 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.200000000000003 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.219999999999999 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 74.099999999999994 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 110.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 111.038 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 65.140000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.518 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.310000000000002 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.239999999999995 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.409999999999997 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' OE1' ' CG ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 110.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.311 -0.625 . . . . 74.510000000000005 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.420000000000002 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 92' ' ' PHE . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 65.230000000000004 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 75.420000000000002 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CD1' HG22 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.530000000000001 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.240000000000002 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.520000000000003 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 70.010000000000005 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.310000000000002 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.140000000000001 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.549999999999997 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.420000000000002 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.409999999999997 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.484 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.306 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.340000000000003 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG22 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.219999999999999 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.508 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.340000000000003 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.209999999999994 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.0 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.329999999999998 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 74.409999999999997 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.150000000000006 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 73.219999999999999 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.010000000000005 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.299999999999997 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CD1' ' CB ' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.549999999999997 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.549999999999997 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 70.099999999999994 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 70.019999999999996 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 27' ' ' ILE . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 72.099999999999994 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.230000000000004 110.993 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.200000000000003 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 73.420000000000002 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.240000000000002 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 62.119999999999997 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.129999999999995 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' CE1' ' A' ' 16' ' ' PHE . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.430000000000007 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.040000000000006 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.450000000000003 109.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.229999999999997 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 72.420000000000002 109.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.540000000000006 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.420000000000002 110.997 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 73.010000000000005 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 73.519999999999996 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CE ' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.420000000000002 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.340000000000003 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 71' ' ' LEU . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.420000000000002 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.219999999999999 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 64.219999999999999 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 29.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.519999999999996 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 HG12 ' CE ' ' A' ' 52' ' ' MET . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.319999999999993 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.340000000000003 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.439999999999998 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CE ' ' A' ' 72' ' ' MET . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 74.109999999999999 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' SER . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 62.329999999999998 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 55' ' ' ILE . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 72.129999999999995 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.230000000000004 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ALA . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.019999999999996 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' NH2' HD21 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.530000000000001 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.129999999999995 110.343 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 89' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.255 -0.646 . . . . 73.209999999999994 109.255 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.219999999999999 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CD1' HD11 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 90' ' ' LYS . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 75.439999999999998 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.150000000000006 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.340000000000003 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.430000000000007 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.340000000000003 109.329 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 75.409999999999997 109.342 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.340000000000003 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.647 ' CB ' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 70.540000000000006 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 71.329999999999998 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.200000000000003 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.120000000000005 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.400000000000006 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.530000000000001 109.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 74.540000000000006 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 110' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 109.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 64.150000000000006 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.530000000000001 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 110.262 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.099999999999994 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' GLN . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.25 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 109.264 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 27' ' ' ILE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.409999999999997 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.140000000000001 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.030000000000001 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.299999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.540000000000006 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.8 OUTLIER 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.291 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 13.1 p-10 -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.219999999999999 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.319999999999993 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.420000000000002 109.985 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 16' ' ' PHE . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.329999999999998 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.349999999999994 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.540000000000006 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.400000000000006 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.587 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.149999999999999 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.587 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.019999999999996 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.310000000000002 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 63.439999999999998 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.200000000000003 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.530000000000001 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.350000000000001 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.030000000000001 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 74.349999999999994 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.150000000000006 109.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 71.329999999999998 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 75.040000000000006 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.441 HG13 ' CG ' ' A' ' 54' ' ' GLU . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 75.530000000000001 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.239999999999995 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.219999999999999 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.509999999999998 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.230000000000004 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 72.150000000000006 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 74.019999999999996 109.334 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.319999999999993 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 73.010000000000005 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 72.120000000000005 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.25 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.030000000000001 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.340000000000003 110.337 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.464 ' CD ' ' CD1' ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.230000000000004 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 74.510000000000005 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.296 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.140000000000001 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.049999999999997 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.099999999999994 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 74.239999999999995 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 75.230000000000004 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 72.099999999999994 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 73.230000000000004 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 90' ' ' LYS . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.010000000000005 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.464 ' CD1' ' CD ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 71.120000000000005 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.306 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.010000000000005 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 110.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 73.310000000000002 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' NZ ' HD23 ' A' ' 18' ' ' LEU . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.400000000000006 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 92' ' ' PHE . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.340000000000003 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.450000000000003 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 71.349999999999994 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 71.030000000000001 109.244 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 73.120000000000005 109.328 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.140000000000001 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.140000000000001 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.010000000000005 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.109999999999999 109.323 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.530000000000001 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.420000000000002 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.239999999999995 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 75.019999999999996 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 64.299999999999997 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 60.439999999999998 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' CE1' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.409999999999997 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.400000000000006 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 65.5 110.031 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.530000000000001 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.400000000000006 109.28 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.310000000000002 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.120000000000005 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.510000000000005 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.430000000000007 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.120000000000005 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 73.049999999999997 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.299999999999997 110.99 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 65.239999999999995 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.120000000000005 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.409999999999997 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 74.030000000000001 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.200000000000003 109.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.422 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 74.030000000000001 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.439999999999998 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.399999999999999 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 HG12 ' CD2' ' A' ' 71' ' ' LEU . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 72.349999999999994 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 63.350000000000001 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 64.140000000000001 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.539999999999999 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.539999999999999 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.340000000000003 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.510000000000005 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 110.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.209999999999994 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.25 109.31 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.349999999999994 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.49 ' NH2' ' NE2' ' A' ' 75' ' ' GLN . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' NH2' ' A' ' 74' ' ' ARG . 34.5 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.5 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 74.150000000000006 109.341 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.430000000000007 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 71.120000000000005 110.309 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' CE1' HD13 ' A' ' 85' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 63.340000000000003 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.219999999999999 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.340000000000003 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 72.140000000000001 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.409999999999997 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.530000000000001 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.140000000000001 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 75' ' ' GLN . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.329999999999998 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.430000000000007 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.572 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 75.25 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.319999999999993 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 108' ' ' VAL . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 73.129999999999995 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.349999999999994 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.329999999999998 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 74.319999999999993 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 60.530000000000001 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.549999999999997 109.267 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 73' ' ' SER . 59.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 75.530000000000001 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.489 ' CG2' ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.400000000000006 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' CB ' ' CB ' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.040000000000006 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' NZ ' ' CG2' ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.200000000000003 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.450000000000003 109.323 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 74.219999999999999 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 73.349999999999994 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.420000000000002 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.030000000000001 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.030000000000001 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 73.239999999999995 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.230000000000004 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.229999999999997 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 63.109999999999999 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.140000000000001 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 74.129999999999995 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.310000000000002 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.25 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 73.010000000000005 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 74.549999999999997 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 73.010000000000005 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 74.409999999999997 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.549999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.329999999999998 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' CB ' HD21 ' A' ' 85' ' ' LEU . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.237 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CG2' HD11 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 54.340000000000003 109.327 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.409999999999997 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 75.109999999999999 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 74.409999999999997 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 28.6 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.549999999999997 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 73.150000000000006 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.120000000000005 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.219999999999999 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.019999999999996 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.319999999999993 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.310000000000002 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.430000000000007 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ALA . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.530000000000001 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' A' ' 86' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.020000000000003 110.277 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 1.7 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.3 -0.629 . . . . 75.230000000000004 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 75.25 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.010000000000005 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.040000000000006 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.239999999999995 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.109999999999999 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' OD2' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.340000000000003 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.219999999999999 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 74.099999999999994 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.337 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.517 ' CB ' ' CB ' ' A' ' 11' ' ' GLU . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 63.329999999999998 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.150000000000006 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 60.329999999999998 110.309 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 63.420000000000002 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.557 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.450000000000003 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.329999999999998 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.420000000000002 109.274 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.313 -0.625 . . . . 70.319999999999993 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.040000000000006 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.420000000000002 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 75.319999999999993 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.555 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CB ' ' CB ' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.319999999999993 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.099999999999994 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.019999999999996 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 63.299999999999997 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.319999999999993 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.430000000000007 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.319999999999993 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.349999999999994 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 62.420000000000002 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.420000000000002 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.140000000000001 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.119999999999997 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.140000000000001 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.310000000000002 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 72.540000000000006 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 29' ' ' SER . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 75.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.349999999999994 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.420000000000002 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.439999999999998 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.200000000000003 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.540000000000006 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.310000000000002 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.230000000000004 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 72.209999999999994 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.420000000000002 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 71.239999999999995 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.099999999999994 109.252 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 72.129999999999995 110.992 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.340000000000003 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 70.439999999999998 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG23 ' CG2' ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.450000000000003 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 74.530000000000001 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 62.149999999999999 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.409999999999997 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' HG23 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.019999999999996 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 65' ' ' PHE . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 64.25 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.549999999999997 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' ' 68' ' ' PHE . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.319999999999993 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.539999999999999 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 74.25 110.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 54.340000000000003 110.291 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.271 -0.64 . . . . 74.319999999999993 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.25 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 71.310000000000002 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.109999999999999 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.040000000000006 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 75.239999999999995 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.239999999999995 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.129999999999995 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 73.420000000000002 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.549999999999997 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 75.349999999999994 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.310000000000002 111.065 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.434 ' CB ' ' OD1' ' A' ' 97' ' ' ASP . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 63.350000000000001 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 74.530000000000001 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.477 ' CB ' ' CB ' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.219999999999999 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.420000000000002 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.349999999999994 109.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.303 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.639 . . . . 74.340000000000003 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 75.019999999999996 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 72.25 110.324 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 110.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.510000000000005 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.030000000000001 110.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 75.540000000000006 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.109999999999999 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' NZ ' HG21 ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.109999999999999 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 73.409999999999997 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 75.329999999999998 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 25.239999999999998 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.349999999999994 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 73.510000000000005 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' CA ' HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.200000000000003 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.099999999999994 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD2' ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.409999999999997 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.400000000000006 109.259 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.049999999999997 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.140000000000001 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.439999999999998 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.140000000000001 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 74.150000000000006 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.549999999999997 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.129999999999995 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 46' ' ' ALA . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 74.319999999999993 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 29' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.530000000000001 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 70.030000000000001 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.340000000000003 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 63' ' ' ILE . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.319999999999993 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 74.5 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.310000000000002 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' CG2' HG22 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.430000000000007 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 63.240000000000002 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.329999999999998 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.310000000000002 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 75.120000000000005 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.200000000000003 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.140000000000001 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 110.3 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.310000000000002 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 110.018 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.219999999999999 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 3.1 mp0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.409999999999997 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.272 -0.64 . . . . 64.439999999999998 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.299999999999997 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 63.399999999999999 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.030000000000001 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' NZ ' ' HA2' ' A' ' 98' ' ' GLY . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CG ' ' CG1' ' A' ' 108' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.420000000000002 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.340000000000003 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.530000000000001 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 72.129999999999995 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.414 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 73.510000000000005 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.099999999999994 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 75.219999999999999 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 75.219999999999999 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.420000000000002 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 73.010000000000005 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.319999999999993 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.57 ' CG1' ' CG ' ' A' ' 92' ' ' PHE . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.010000000000005 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.519999999999996 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.299999999999997 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.439999999999998 109.3 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 65.319999999999993 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 74.010000000000005 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.329999999999998 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.019999999999996 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.400000000000006 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.340000000000003 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.69 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 73.310000000000002 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 70.510000000000005 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.340000000000003 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 63.399999999999999 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.019999999999996 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.030000000000001 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 71.099999999999994 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.430000000000007 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.555 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.030000000000001 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.439999999999998 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.239999999999995 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.209999999999994 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.040000000000006 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.510000000000005 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.521 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.400000000000006 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 72.319999999999993 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 64.430000000000007 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.409999999999997 109.293 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 74.510000000000005 111.039 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.483 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 64.409999999999997 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 75.439999999999998 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.129999999999995 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.329999999999998 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.430000000000007 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.299999999999997 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.530000000000001 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 71.120000000000005 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.310000000000002 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.340000000000003 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.230000000000004 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 71.209999999999994 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 64.540000000000006 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 62.210000000000001 110.315 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.040000000000006 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.310000000000002 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.409999999999997 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.040000000000006 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.540000000000006 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.120000000000005 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 70' ' ' ALA . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.109999999999999 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.439999999999998 110.275 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.318 -0.623 . . . . 72.219999999999999 109.318 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.230000000000004 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.409999999999997 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.519999999999996 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.030000000000001 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 108' ' ' VAL . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.299999999999997 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 64.420000000000002 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.310000000000002 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 75.219999999999999 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 70.230000000000004 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 71.099999999999994 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.340000000000003 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.319999999999993 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.69 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' VAL . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 75.209999999999994 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 75.400000000000006 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 75.230000000000004 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 73.209999999999994 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.420000000000002 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 70.310000000000002 109.301 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 73.230000000000004 109.318 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.109999999999999 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.319999999999993 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.519999999999996 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 65.010000000000005 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.662 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 75.409999999999997 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 16' ' ' PHE . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 62.229999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 71.219999999999999 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.150000000000006 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD1' HD13 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 75.430000000000007 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.230000000000004 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.409999999999997 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.239999999999995 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.530000000000001 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.540000000000006 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.439999999999998 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.209999999999994 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 73.010000000000005 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.420000000000002 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 74.329999999999998 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.400000000000006 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.493 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 75.150000000000006 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.329999999999998 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 73.030000000000001 109.299 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 61.420000000000002 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 75.230000000000004 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.41 ' N ' HD11 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 71.340000000000003 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.239999999999995 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' LEU . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.109999999999999 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.420000000000002 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 74.340000000000003 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 75.230000000000004 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 74.200000000000003 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.120000000000005 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.129999999999995 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.239999999999995 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 54.450000000000003 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 72.299999999999997 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.040000000000006 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.120000000000005 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.349999999999994 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 75.109999999999999 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 65' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.010000000000005 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 75.409999999999997 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.310000000000002 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.319999999999993 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 89' ' ' PHE . 1.6 tm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.287 -0.634 . . . . 73.299999999999997 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.030000000000001 110.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.040000000000006 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' NZ ' ' N ' ' A' ' 98' ' ' GLY . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 70.310000000000002 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 70.519999999999996 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.310000000000002 110.022 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.299 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.209999999999994 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 73.450000000000003 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.497 ' N ' ' NZ ' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.450000000000003 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.329999999999998 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 55.420000000000002 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 110.262 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 75.040000000000006 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 71.109999999999999 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 65.349999999999994 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 75.040000000000006 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.400000000000006 109.275 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 6.4 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 75.109999999999999 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.299999999999997 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.409999999999997 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.430000000000007 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.030000000000001 109.319 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 69' ' ' LEU . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.409999999999997 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.049999999999997 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.340000000000003 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.25 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.040000000000006 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.209999999999994 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.130000000000003 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 73.400000000000006 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.109999999999999 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.109999999999999 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 63.399999999999999 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.340000000000003 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.420000000000002 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.140000000000001 109.29 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 65.099999999999994 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.310000000000002 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 64.549999999999997 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.140000000000001 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 72.409999999999997 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.510000000000005 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.340000000000003 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 71.540000000000006 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.109999999999999 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.420000000000002 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.319999999999993 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 74.329999999999998 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.120000000000005 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 71' ' ' LEU . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 65.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 74.439999999999998 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.400000000000006 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 63.009999999999998 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.530000000000001 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.7 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 73.239999999999995 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 52' ' ' MET . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 75.540000000000006 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 65.439999999999998 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 64.109999999999999 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.239999999999995 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.5 110.982 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 12' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 74.209999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.552 ' HE2' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.099999999999994 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.310000000000002 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.466 ' CB ' HD11 ' A' ' 99' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 110.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.7 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 65.129999999999995 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.430000000000007 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.140000000000001 110.325 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 72.219999999999999 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HD11 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.010000000000005 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.562 ' CG1' ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 72.150000000000006 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 74.129999999999995 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 65.040000000000006 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 71.109999999999999 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.481 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 63.43 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.310000000000002 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 70.219999999999999 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.129999999999995 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.349999999999994 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.219999999999999 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.409999999999997 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.575 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.430000000000007 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.409999999999997 109.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 74.140000000000001 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 75.200000000000003 109.335 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 73.129999999999995 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.319999999999993 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.439999999999998 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.099999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.310000000000002 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.099999999999994 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.540000000000006 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 109.306 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.040000000000006 109.262 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 74.329999999999998 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.219999999999999 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.519999999999996 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.109999999999999 110.003 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.299999999999997 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.430000000000007 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' CA ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 72.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.209999999999994 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.409999999999997 110.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.209999999999994 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.430000000000007 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.519999999999996 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.549999999999997 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.219999999999999 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 52.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.140000000000001 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 72.010000000000005 109.986 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG11 ' CA ' ' A' ' 29' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 72.019999999999996 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.329999999999998 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 64.340000000000003 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.35 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 71' ' ' LEU . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 75.200000000000003 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 74.019999999999996 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.310000000000002 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.310000000000002 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.519999999999996 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.420000000000002 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.200000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 65.230000000000004 111.029 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.5 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.049999999999997 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 105' ' ' LEU . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 111.058 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.120000000000005 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 75.409999999999997 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.030000000000001 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 74.019999999999996 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.1 tm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 73.239999999999995 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.430000000000007 110.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.099999999999994 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.356 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.299999999999997 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.656 ' CE1' ' CG1' ' A' ' 91' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 71.239999999999995 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.450000000000003 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.302 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.200000000000003 110.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.329999999999998 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.439999999999998 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 72.200000000000003 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.56 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 73.310000000000002 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 68' ' ' PHE . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.5 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.64 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 73.439999999999998 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.310000000000002 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.420000000000002 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 111' ' ' SER . 5.2 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 72.450000000000003 109.274 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 75.510000000000005 109.276 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.519999999999996 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.450000000000003 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 74.109999999999999 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.129999999999995 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.637 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 73.400000000000006 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' PHE . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.420000000000002 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.263 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 74.140000000000001 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.219999999999999 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 74.420000000000002 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CD1' ' CG1' ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 74.129999999999995 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.239999999999995 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 71.5 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 73.109999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.150000000000006 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.340000000000003 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' HG3' ' A' ' 52' ' ' MET . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.340000000000003 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.299999999999997 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.349999999999994 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.420000000000002 109.322 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 65.25 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.482 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.509999999999998 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.239999999999995 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 74.040000000000006 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 74.140000000000001 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.140000000000001 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.399999999999999 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.019999999999996 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.310000000000002 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.400000000000006 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.557 ' CE ' ' CD1' ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.329999999999998 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 51' ' ' LEU . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.219999999999999 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.140000000000001 109.311 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.549999999999997 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 75.519999999999996 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.329999999999998 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 72.450000000000003 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CD1' ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.519999999999996 111.001 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.150000000000006 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' ALA . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.209999999999994 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.099999999999994 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.519999999999996 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.267 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 74.219999999999999 109.308 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.439999999999998 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 75.150000000000006 110.274 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.530000000000001 109.307 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD12 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.510000000000005 109.332 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.239999999999995 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.120000000000005 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.120000000000005 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 75.109999999999999 109.292 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 72.510000000000005 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.414 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.409999999999997 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 75.019999999999996 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 73.319999999999993 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.319999999999993 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 109.273 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 92' ' ' PHE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 18' ' ' LEU . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 61.25 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.458 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 8.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 70.400000000000006 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.25 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.510000000000005 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.140000000000001 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.219999999999999 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.535 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' NZ ' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 55.439999999999998 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.230000000000004 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.010000000000005 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.420000000000002 109.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 75.129999999999995 109.314 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.120000000000005 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 62.329999999999998 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 72.120000000000005 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.140000000000001 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 73.450000000000003 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.455 ' CB ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 65.439999999999998 110.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.439999999999998 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.299999999999997 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.120000000000005 109.28 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.510000000000005 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.56 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 74.209999999999994 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.439999999999998 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 72.450000000000003 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 71.25 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 73.299999999999997 109.302 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.400000000000006 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 72.430000000000007 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.219999999999999 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.030000000000001 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 75.409999999999997 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' CG ' ' A' ' 54' ' ' GLU . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.200000000000003 109.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.099999999999994 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.329999999999998 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.329999999999998 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.010000000000005 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.361 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.510000000000005 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.450000000000003 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.120000000000005 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.439999999999998 110.295 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 72.120000000000005 110.968 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.040000000000006 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.299999999999997 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.340000000000003 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.200000000000003 110.318 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 110.296 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 89' ' ' PHE . 2.9 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 71.030000000000001 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 72.549999999999997 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.552 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.239999999999995 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 85' ' ' LEU . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' NZ ' ' HA2' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.329999999999998 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.348 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 72.030000000000001 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.219999999999999 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 54.200000000000003 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.150000000000006 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 74.420000000000002 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.100000000000001 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.531 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.099999999999994 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.439999999999998 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.341 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 73.299999999999997 109.328 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.329999999999998 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.629 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 72.5 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 75.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 71.5 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.319 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 74.329999999999998 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.519999999999996 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 110.277 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 72.109999999999999 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.019999999999996 109.258 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CE1' ' HB1' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.25 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.099999999999994 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.450000000000003 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.129999999999995 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 111.027 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 74.239999999999995 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 73.310000000000002 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 71.239999999999995 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.109999999999999 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.510000000000005 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.239999999999995 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.219999999999999 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.257 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.540000000000006 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 74.450000000000003 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' HD21 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.140000000000001 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 75.219999999999999 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.049999999999997 111.044 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.140000000000001 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.010000000000005 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.409999999999997 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.150000000000006 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 63' ' ' ILE . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 73.209999999999994 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.540000000000006 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 71.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.019999999999996 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 63.43 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 72.310000000000002 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 71.209999999999994 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 64.219999999999999 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 75.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.340000000000003 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 HD13 ' CG2' ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 72.209999999999994 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.150000000000006 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 65.430000000000007 110.259 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 55.119999999999997 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 74.049999999999997 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.400000000000006 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ALA . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.2 mp0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 110.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 74.420000000000002 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 87' ' ' GLU . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.437 ' N ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.439999999999998 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 109.355 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 72.329999999999998 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.340000000000003 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.150000000000006 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 75.329999999999998 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.450000000000003 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.299999999999997 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.129999999999995 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.539999999999999 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.019999999999996 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 75.230000000000004 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 102' ' ' ALA . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.299999999999997 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 73.439999999999998 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.584 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 109.34 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.120000000000005 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 71.450000000000003 109.283 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.971 -0.381 . . . . 61.009999999999998 109.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -109.35 14.75 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 65.120000000000005 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -137.22 155.31 49.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.400000000000006 109.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.39 126.86 31.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.109999999999999 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 75.129999999999995 110.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.219999999999999 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.667 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.140000000000001 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ALA . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.439999999999998 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' GLU . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.140000000000001 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 74.129999999999995 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.651 ' CE2' ' CD2' ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.430000000000007 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 75.140000000000001 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 65.299999999999997 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.409999999999997 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 64.219999999999999 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.329999999999998 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.109999999999999 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.329999999999998 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.310000000000002 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.530000000000001 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.420000000000002 109.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.540000000000006 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' LEU . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.530000000000001 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.549999999999997 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 73.340000000000003 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 74.219999999999999 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 74.150000000000006 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.439999999999998 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 72.150000000000006 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 74.329999999999998 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 75.230000000000004 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.200000000000003 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.310000000000002 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.549999999999997 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.239999999999995 109.335 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.469 ' CE ' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.120000000000005 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.099999999999994 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.549999999999997 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 72.109999999999999 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.120000000000005 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.349999999999994 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.409999999999997 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.310000000000002 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG12 ' CE ' ' A' ' 52' ' ' MET . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.450000000000003 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.25 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 62.32 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 74.049999999999997 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.982 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.667 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 72.450000000000003 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.549999999999997 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.530000000000001 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.432 ' HE2' ' CD1' ' A' ' 105' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 73.140000000000001 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.1 mp0 -55.49 140.58 39.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.310000000000002 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -174.58 150.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 72.420000000000002 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.57 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 74.25 109.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -79.23 147.86 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.510000000000005 109.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.1 m-80 -90.47 85.33 6.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -112.12 17.83 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 60.030000000000001 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 p -163.36 148.42 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.0 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -47.21 116.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 110.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -104.13 -11.01 17.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 72.329999999999998 110.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.5 -15.54 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 110.282 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.93 -29.75 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.150000000000006 109.31 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE1' ' CD1' ' A' ' 121' ' ' LEU . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.540000000000006 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.329999999999998 109.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.349999999999994 110.997 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CB ' HD21 ' A' ' 121' ' ' LEU . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.150000000000006 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.439999999999998 109.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.120000000000005 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 90' ' ' LYS . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.209999999999994 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 75.030000000000001 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.439999999999998 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 71.329999999999998 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.100000000000001 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 75' ' ' GLN . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.430000000000007 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.568 ' CB ' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 74.030000000000001 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.200000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 6.3 m-70 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 75.450000000000003 109.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 64.030000000000001 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.651 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.510000000000005 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 113' ' ' GLY . 8.7 mt -43.87 163.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.340000000000003 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 162.34 157.2 8.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 73.049999999999997 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.98 -38.24 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 0.729 . . . . 74.299999999999997 110.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -71.66 69.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 112' ' ' ILE . 6.7 mt -151.49 142.53 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.409999999999997 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 3.0 p -156.14 159.11 38.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 110.413 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.65 11.25 29.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.25 15.17 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 63.539999999999999 109.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.2 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -115.55 -38.59 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.5 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -38.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 75.519999999999996 110.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 42.3 m170 -45.1 -62.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 71.109999999999999 109.645 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 1.8 p-80 -103.76 137.97 41.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 72.109999999999999 109.567 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -71.34 117.32 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.109999999999999 109.598 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -44.71 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 75.25 109.578 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -101.73 79.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 73.230000000000004 109.615 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.555 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.968 -0.382 . . . . 73.420000000000002 109.968 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -122.53 158.97 28.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 110.016 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.27 6.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.219999999999999 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.14 139.01 55.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.409999999999997 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.010000000000005 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.430000000000007 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 63.200000000000003 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.329999999999998 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.229999999999997 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.510000000000005 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.420000000000002 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.510000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.450000000000003 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.540000000000006 111.012 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.409999999999997 109.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 64.409999999999997 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 71.150000000000006 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.430000000000007 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 71.219999999999999 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.099999999999994 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.468 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.409999999999997 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 75.109999999999999 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.219999999999999 110.253 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.439999999999998 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 62.25 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.32 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.504 ' CE ' ' CD2' ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 64.439999999999998 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 62.219999999999999 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.129999999999995 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.299999999999997 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' CD2' ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.099999999999994 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.120000000000005 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.030000000000001 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.010000000000005 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 29' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.439999999999998 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.530000000000001 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 71' ' ' LEU . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 64.040000000000006 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.25 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 74.120000000000005 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.010000000000005 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.109999999999999 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.409999999999997 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 75.310000000000002 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG21 ' CG2' ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.239999999999995 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 110.943 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.530000000000001 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.492 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.219999999999999 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.519999999999996 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.420000000000002 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 74.129999999999995 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.461 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.6 mt-30 64.92 24.53 12.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 51.229999999999997 110.281 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 mp -96.78 -179.48 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.264 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.01 132.88 35.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 75.25 109.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p 42.67 41.22 2.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 64.319999999999993 110.03 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -63.17 -26.08 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.239999999999995 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.43 50.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 64.129999999999995 109.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -156.38 173.83 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.430000000000007 109.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.25 134.54 39.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 65.040000000000006 110.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -126.13 19.87 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 72.040000000000006 110.278 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.08 -7.82 31.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' PHE . 2.9 tm? -76.21 -43.94 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.030000000000001 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.209999999999994 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.209999999999994 110.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.439999999999998 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.120000000000005 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CE ' ' HA2' ' A' ' 98' ' ' GLY . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 65.219999999999999 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.540000000000006 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.482 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.219999999999999 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.140000000000001 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 60.130000000000003 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 74.540000000000006 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' CD2' ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.129999999999995 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.350000000000001 109.334 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' ND2' ' A' ' 95' ' ' ASN . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.430000000000007 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 71.400000000000006 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 18' ' ' LEU . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.099999999999994 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 63.009999999999998 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.684 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 74.25 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.420000000000002 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 70.349999999999994 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 113' ' ' GLY . 7.5 mt -42.78 163.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.337 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 156.9 -139.0 6.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 111.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' CD2' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -123.62 -61.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 73.430000000000007 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -59.72 113.81 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.420000000000002 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 117' ' ' THR . 1.2 pt? -175.41 113.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 2.2 p -158.98 -175.35 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.299999999999997 110.43 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.74 -8.44 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.150000000000006 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.16 5.32 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.399999999999999 109.291 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -39.32 -58.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 75.209999999999994 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' CD1' ' HE3' ' A' ' 90' ' ' LYS . 1.4 pt? -115.53 -38.75 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.019999999999996 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -56.71 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -80.14 -15.06 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 75.319999999999993 109.545 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -89.53 14.83 10.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 75.530000000000001 109.586 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -89.1 89.98 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 64.540000000000006 109.587 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -111.77 -51.71 2.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.450000000000003 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 127' ' ' HIS . 23.7 p-80 -63.39 112.98 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 63.439999999999998 109.59 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.5 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 62.450000000000003 109.576 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.991 -0.374 . . . . 73.310000000000002 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -87.49 -38.76 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 75.439999999999998 109.986 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 4' ' ' LEU . 28.6 t30 -64.22 160.02 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.510000000000005 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 8.9 mt -92.35 135.52 33.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 75.299999999999997 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.030000000000001 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.439999999999998 109.247 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.010000000000005 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.25 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.049999999999997 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.439999999999998 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 71.319999999999993 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.140000000000001 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.329999999999998 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.329999999999998 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.109999999999999 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.439999999999998 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.219999999999999 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 75.430000000000007 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 75.25 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.420000000000002 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.400000000000006 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.340000000000003 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.219999999999999 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.293 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.120000000000005 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.476 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.549999999999997 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.25 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.200000000000003 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.120000000000005 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.530000000000001 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.350000000000001 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.049999999999997 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 74.140000000000001 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.340000000000003 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.540000000000006 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 75.430000000000007 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.299999999999997 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.430000000000007 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.140000000000001 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 74.340000000000003 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.439999999999998 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.530000000000001 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.109999999999999 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 73.010000000000005 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.230000000000004 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 72.120000000000005 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' ' HE1' ' A' ' 52' ' ' MET . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.340000000000003 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 111.027 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.549999999999997 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.209999999999994 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.230000000000004 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.409999999999997 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.109999999999999 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.443 ' CG ' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -129.55 152.04 49.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 tm? 56.29 51.45 11.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.510000000000005 109.272 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' ASP . 13.8 mmmt -135.52 98.95 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.42 36.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 74.519999999999996 110.033 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 18.4 t30 64.34 53.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.400000000000006 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' LYS . 10.9 t0 -44.22 137.47 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 75.239999999999995 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -57.84 -46.03 85.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 71.430000000000007 109.998 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -80.81 109.81 15.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 110.334 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -124.36 7.17 8.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 75.200000000000003 110.335 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -75.83 -35.16 60.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 73.409999999999997 110.317 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 1.5 tm? -88.1 9.37 22.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 72.109999999999999 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' CG ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.540000000000006 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' CG ' HD13 ' A' ' 86' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 72.200000000000003 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 73.140000000000001 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.473 ' HD3' ' CD2' ' A' ' 121' ' ' LEU . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.040000000000006 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.319 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CG ' HG23 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 75.439999999999998 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 73.129999999999995 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 73.540000000000006 109.278 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.430000000000007 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 43.520000000000003 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.443 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.439999999999998 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.349999999999994 109.278 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.310000000000002 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.420000000000002 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 64.099999999999994 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 74.400000000000006 110.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.040000000000006 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 9.1 m-70 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.540000000000006 109.621 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 HG23 ' CG ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.030000000000001 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.25 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 61.130000000000003 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mm 65.35 10.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -41.48 115.69 0.82 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 62.43 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -36.91 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 74.310000000000002 110.292 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -134.25 139.68 45.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 64.219999999999999 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . 5.2 mt -145.19 128.94 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.400000000000006 109.268 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.5 p -110.29 -173.91 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 62.530000000000001 110.38 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -22.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.08 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 51.420000000000002 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.71 -46.89 77.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 110.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' HD3' ' A' ' 90' ' ' LYS . 2.0 pt? -108.66 -45.51 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.450000000000003 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' CG ' ' CD ' ' A' ' 87' ' ' GLU . 70.4 mt-10 -38.9 110.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 110.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -123.86 -43.29 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 73.150000000000006 109.56 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -115.35 -173.48 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.581 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -105.09 -72.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 73.129999999999995 109.57 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -40.04 124.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.120000000000005 109.624 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.21 -31.64 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.340000000000003 109.627 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.596 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.971 -0.381 . . . . 71.019999999999996 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -99.85 -28.8 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.310000000000002 110.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.32 124.77 44.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 75.319999999999993 109.291 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mp -49.15 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 72.450000000000003 109.324 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 74.310000000000002 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.099999999999994 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.510000000000005 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.681 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.450000000000003 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 62.539999999999999 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.329999999999998 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 64.209999999999994 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.450000000000003 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 16' ' ' PHE . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.129999999999995 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 18' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 35' ' ' VAL . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.230000000000004 109.306 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 74.049999999999997 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.409999999999997 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 75.430000000000007 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.140000000000001 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 63.219999999999999 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 65.319999999999993 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' CG2' ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 64.129999999999995 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 63.350000000000001 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 73.530000000000001 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 70.409999999999997 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 74.129999999999995 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' A' ' 112' ' ' ILE . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.340000000000003 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 73.310000000000002 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 72.129999999999995 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.340000000000003 109.346 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.459 ' CE ' HG12 ' A' ' 63' ' ' ILE . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 73.209999999999994 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.319999999999993 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 63' ' ' ILE . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 65.549999999999997 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.099999999999994 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.010000000000005 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' N ' ' ND1' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.210000000000001 110.298 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 HG12 ' CE ' ' A' ' 52' ' ' MET . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.450000000000003 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' ' CG2' ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.540000000000006 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.439999999999998 110.246 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.349999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 9' ' ' ILE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 74.450000000000003 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.229999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.239999999999995 109.955 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.2 mp0 -64.36 -53.24 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.140000000000001 110.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 76.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.129999999999995 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -171.55 121.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 65.019999999999996 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -90.74 88.69 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 74.209999999999994 109.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.28 139.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 63.030000000000001 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.99 97.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.349999999999994 109.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -145.13 -176.9 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 109.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 13.0 tt0 -58.37 121.79 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 73.450000000000003 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -129.01 13.9 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 74.519999999999996 110.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.11 -9.34 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.540000000000006 110.29 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -72.9 -53.7 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 72.230000000000004 109.275 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.350000000000001 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' NZ ' ' CD1' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 74.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CA ' HG13 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 74.319999999999993 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.510000000000005 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.409999999999997 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 75.109999999999999 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.329999999999998 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 72.019999999999996 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.302 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.439999999999998 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.539999999999999 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.019999999999996 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 65.310000000000002 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.329999999999998 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp -40.05 146.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 75.540000000000006 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.87 -143.47 3.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 60.450000000000003 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -86.65 176.1 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 71.230000000000004 110.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.47 117.42 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 75.340000000000003 109.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.74 153.04 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 73.239999999999995 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -101.47 -174.14 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.310000000000002 110.428 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.87 3.31 47.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.420000000000002 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.66 15.55 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.540000000000006 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -53.53 -61.0 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 110.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.518 ' CD1' ' NZ ' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -104.76 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 64.25 109.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.51 -25.21 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -146.77 154.57 41.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 109.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -76.72 -14.54 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 70.409999999999997 109.604 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -64.48 124.13 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 62.520000000000003 109.612 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -126.92 105.16 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.329999999999998 109.56 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.35 97.83 10.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.129999999999995 109.583 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.995 -0.372 . . . . 75.230000000000004 109.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -95.47 60.19 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 71.209999999999994 110.045 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -92.01 112.81 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 65.430000000000007 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 12.1 mt -96.08 128.61 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 74.230000000000004 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.519999999999996 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.209999999999994 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG2' ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.209999999999994 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 72.230000000000004 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 4' ' ' LEU . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.129999999999995 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' NZ ' ' CG2' ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 72.230000000000004 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 74.329999999999998 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 109.338 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.230000000000004 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD2' HG12 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 73.519999999999996 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.040000000000006 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.420000000000002 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.450000000000003 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.349999999999994 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 72.519999999999996 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 65.209999999999994 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.109999999999999 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 73.129999999999995 109.348 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.43 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG12 ' CD2' ' A' ' 19' ' ' PHE . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 72.140000000000001 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.413 ' HE3' ' CD2' ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.409999999999997 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.439999999999998 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 62.439999999999998 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.119999999999997 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.230000000000004 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.519999999999996 111.0 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' GLU . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 60.140000000000001 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.519999999999996 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.340000000000003 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.430000000000007 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.099999999999994 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 73.129999999999995 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 73.019999999999996 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 71' ' ' LEU . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.010000000000005 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.310000000000002 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.230000000000004 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.539999999999999 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.140000000000001 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.109999999999999 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.420000000000002 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.430000000000007 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.200000000000003 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.430000000000007 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 110.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.049999999999997 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' CD2' ' NH2' ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.547 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' NH2' ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 71.230000000000004 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.456 ' CB ' HD13 ' A' ' 99' ' ' LEU . 19.1 mp0 -38.97 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 110.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' ARG . 17.9 mt -60.96 -176.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 75.340000000000003 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -76.46 -34.91 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 71.109999999999999 109.333 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -50.15 133.05 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 70.239999999999995 110.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 t30 49.23 26.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 64.450000000000003 109.35 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 41.51 36.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 71.439999999999998 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 92.3 p 179.55 168.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 65.140000000000001 109.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 86' ' ' LEU . 1.5 tt0 -78.04 171.82 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 72.310000000000002 110.317 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 43.7 mm-40 -124.2 -41.05 2.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 75.150000000000006 110.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 -48.41 7.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 64.310000000000002 110.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -95.13 18.96 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 65.420000000000002 109.287 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.510000000000005 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' CE ' ' HB3' ' A' ' 120' ' ' GLU . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 71.510000000000005 109.304 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 116' ' ' LEU . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.439999999999998 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 108' ' ' VAL . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.340000000000003 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 62.310000000000002 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 73.310000000000002 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.310000000000002 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 81' ' ' SER . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.420000000000002 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 75.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.030000000000001 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.462 HD13 ' CG ' ' A' ' 72' ' ' MET . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.019999999999996 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' NZ ' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.340000000000003 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 92' ' ' PHE . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 65.109999999999999 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.239999999999995 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLY . 3.4 mm 59.53 15.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.150000000000006 109.36 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ILE . . . -34.59 118.46 0.27 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 71.239999999999995 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' LEU . 47.6 mt-10 -89.81 -176.71 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 75.510000000000005 110.288 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.19 26.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.5 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -53.27 120.16 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 74.530000000000001 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.8 p -124.51 -169.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.129999999999995 110.423 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -109.54 -22.98 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -77.95 -0.01 25.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 62.420000000000002 109.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 12.4 mt-10 -38.37 -58.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 72.439999999999998 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 87' ' ' GLU . 2.6 pt? -115.67 -47.05 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 73.5 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 1.5 mm-40 -40.96 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -136.92 82.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 71.109999999999999 109.593 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' HIS . 11.0 t60 -39.99 121.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 75.049999999999997 109.616 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 127' ' ' HIS . 10.6 p80 -128.64 12.87 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 72.140000000000001 109.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.8 m80 70.48 52.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 74.140000000000001 109.621 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 125' ' ' HIS . 0.6 OUTLIER -71.53 -51.4 23.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 74.510000000000005 109.602 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 74.200000000000003 109.616 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 74.209999999999994 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.24 71.52 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.340000000000003 109.998 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -150.66 154.32 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 109.259 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 40.1 mt -86.98 138.56 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 75.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.450000000000003 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 73.439999999999998 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.310000000000002 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' GLN . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.450000000000003 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.439999999999998 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD2' HD21 ' A' ' 32' ' ' LEU . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.510000000000005 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 72.519999999999996 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.439999999999998 109.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.329999999999998 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.120000000000005 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.340000000000003 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.420000000000002 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 75.200000000000003 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 16' ' ' PHE . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 75.299999999999997 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.409999999999997 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.420000000000002 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 72.329999999999998 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.109999999999999 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 74.349999999999994 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.230000000000004 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 64.519999999999996 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.209999999999994 109.34 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 75.439999999999998 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.229999999999997 111.052 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.430000000000007 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 53.25 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 63.329999999999998 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LEU . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.451 ' CE ' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.409999999999997 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.329999999999998 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.308 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 75.129999999999995 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 71.209999999999994 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.400000000000006 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG12 ' CE ' ' A' ' 52' ' ' MET . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.209999999999994 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.420000000000002 111.039 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.519999999999996 110.294 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 69' ' ' LEU . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.299999999999997 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.512 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 71.450000000000003 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.099999999999994 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' CD ' HD12 ' A' ' 85' ' ' LEU . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.049999999999997 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 86' ' ' LEU . 19.2 mp0 -59.65 126.67 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 72.329999999999998 110.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -159.53 176.39 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 75.329999999999998 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -72.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -68.0 177.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 72.129999999999995 110.019 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.31 60.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -45.9 -41.67 11.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 73.510000000000005 109.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t -50.85 -48.48 60.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 74.430000000000007 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -34.54 73.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 54.039999999999999 110.244 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 4.8 mt-30 -68.36 -7.53 32.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 110.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.98 -7.57 39.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 61.530000000000001 110.322 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 74' ' ' ARG . 2.8 tm? -72.32 -49.3 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 75.439999999999998 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.299999999999997 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 85' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 121' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.510000000000005 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.140000000000001 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 75.030000000000001 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 53.399999999999999 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.230000000000004 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 72.200000000000003 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.430000000000007 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.509999999999998 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.420000000000002 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.329999999999998 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 64.510000000000005 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.519999999999996 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.099999999999994 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 75.340000000000003 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 74.450000000000003 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 65.439999999999998 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 75.510000000000005 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 mm 69.92 7.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.301 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.88 126.93 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 73.200000000000003 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -105.76 -65.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 74.519999999999996 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -40.55 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 91' ' ' VAL . 2.9 pp -173.2 152.1 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 73.329999999999998 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.487 ' OG1' ' CG ' ' A' ' 120' ' ' GLU . 35.2 p -136.29 -165.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.398 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.98 -32.56 15.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 73.450000000000003 109.277 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.94 22.99 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 75.040000000000006 109.259 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' CG ' ' OG1' ' A' ' 117' ' ' THR . 7.1 mm-40 -102.9 4.01 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -102.55 -53.86 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.294 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 124' ' ' HIS . 37.1 mt-10 -57.49 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 61.310000000000002 110.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 45.33 26.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 72.510000000000005 109.595 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 122' ' ' GLU . 14.0 t-80 -168.16 -175.71 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 71.340000000000003 109.556 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -127.44 159.34 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 62.350000000000001 109.568 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 128' ' ' HIS . 99.6 m-70 -113.1 -43.51 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.439999999999998 109.594 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -67.02 74.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 73.519999999999996 109.599 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 126' ' ' HIS . 20.7 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 72.099999999999994 109.54 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.024 -0.362 . . . . 73.120000000000005 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -148.91 171.67 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 65.239999999999995 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -95.54 177.41 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 72.209999999999994 109.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.96 125.46 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 74.340000000000003 109.257 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 74.120000000000005 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.030000000000001 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.230000000000004 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 62.439999999999998 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 9' ' ' ILE . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 70.150000000000006 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ALA . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.149999999999999 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 74.109999999999999 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 71.040000000000006 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.120000000000005 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 74.140000000000001 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 73.409999999999997 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 74.329999999999998 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.119999999999997 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.409999999999997 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 73.409999999999997 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.445 ' CA ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.129999999999995 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 71.530000000000001 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 74.340000000000003 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.120000000000005 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 75.109999999999999 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 74.25 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.329999999999998 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.5 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 64.340000000000003 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.150000000000006 109.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 75.219999999999999 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.506 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 71.230000000000004 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.420000000000002 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.319999999999993 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG11 ' CA ' ' A' ' 29' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.129999999999995 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.420000000000002 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.209999999999994 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 73.200000000000003 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' CE ' HG12 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 65.430000000000007 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 71' ' ' LEU . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.409999999999997 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.129999999999995 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.200000000000003 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.219999999999999 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 74.099999999999994 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 110.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 111.038 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 65.140000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.518 ' HE1' ' CE2' ' A' ' 68' ' ' PHE . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.310000000000002 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.239999999999995 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.409999999999997 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' OE1' ' CG ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -162.62 139.66 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 mt -126.71 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 109.292 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -57.33 -18.18 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t 68.19 37.63 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' CG ' ' A' ' 77' ' ' LYS . 32.8 m120 -129.1 54.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 75.030000000000001 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -106.75 166.39 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.439999999999998 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -80.65 -23.16 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 70.230000000000004 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 84' ' ' GLU . 7.9 tp10 -67.4 -72.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 75.530000000000001 110.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 40.91 28.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.268 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 82' ' ' GLU . 37.5 tt0 -98.22 -38.21 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 110.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? -91.31 -46.4 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 74.510000000000005 109.311 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 121' ' ' LEU . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.420000000000002 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 75.439999999999998 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CB ' HD23 ' A' ' 121' ' ' LEU . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 65.230000000000004 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 75.420000000000002 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CD1' HG22 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.530000000000001 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.240000000000002 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.520000000000003 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 70.010000000000005 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.310000000000002 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 74.140000000000001 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.549999999999997 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.420000000000002 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.409999999999997 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.484 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.306 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.340000000000003 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG22 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.219999999999999 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.508 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.340000000000003 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.209999999999994 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.0 mm -44.22 166.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.329999999999998 109.298 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.85 -173.36 45.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 110.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.27 -72.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 62.439999999999998 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -66.48 104.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 109.304 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.8 mt -151.63 128.61 11.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 109.298 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -146.78 168.71 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.230000000000004 110.392 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.43 -15.09 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.91 7.6 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 62.25 109.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -40.5 -46.11 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.120000000000005 110.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 90' ' ' LYS . 1.1 pt? -101.31 -29.41 12.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 109.291 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.7 83.53 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.129999999999995 110.284 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -65.43 -17.03 64.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 75.209999999999994 109.621 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -71.78 143.72 49.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.120000000000005 109.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -88.47 120.83 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.140000000000001 109.62 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -140.84 117.24 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 73.140000000000001 109.624 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -56.67 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 72.25 109.605 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 73.239999999999995 109.586 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 73.299999999999997 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' OG ' ' NZ ' ' A' ' 77' ' ' LYS . 8.9 t -116.59 7.61 13.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.952 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.53 130.6 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.340000000000003 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.97 130.89 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.150000000000006 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 73.219999999999999 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.010000000000005 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.299999999999997 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CD1' ' CB ' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.549999999999997 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.549999999999997 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 70.099999999999994 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 70.019999999999996 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 27' ' ' ILE . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 72.099999999999994 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 73.219999999999999 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.230000000000004 110.993 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.200000000000003 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 73.420000000000002 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.240000000000002 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 62.119999999999997 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.129999999999995 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 ' CE1' ' A' ' 16' ' ' PHE . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 109.276 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.430000000000007 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.040000000000006 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 72.450000000000003 109.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.229999999999997 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 72.030000000000001 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 72.420000000000002 109.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.540000000000006 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.420000000000002 110.997 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 73.010000000000005 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 73.519999999999996 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 29' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CE ' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.420000000000002 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.340000000000003 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 71' ' ' LEU . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.420000000000002 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.219999999999999 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 64.219999999999999 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 29.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.519999999999996 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 HG12 ' CE ' ' A' ' 52' ' ' MET . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.319999999999993 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.340000000000003 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.439999999999998 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' CE ' ' A' ' 72' ' ' MET . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 74.109999999999999 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' SER . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 62.329999999999998 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 55' ' ' ILE . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 72.129999999999995 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.230000000000004 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ALA . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.019999999999996 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' NH2' HD21 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.530000000000001 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -97.76 15.26 24.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.129999999999995 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -55.01 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 73.209999999999994 109.316 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' NZ ' ' OG ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -128.79 9.07 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 70.430000000000007 109.257 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 7.5 t -100.66 161.61 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 75.340000000000003 110.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -48.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 74.129999999999995 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 t0 -124.53 179.53 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.33 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -81.17 -77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 73.340000000000003 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.57 108.77 15.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 74.120000000000005 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -128.29 3.57 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.530000000000001 110.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.7 -23.0 58.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.450000000000003 110.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -89.64 15.57 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.255 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' CA ' HD23 ' A' ' 121' ' ' LEU . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.219999999999999 110.342 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CD1' HD11 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HD3' ' CD1' ' A' ' 121' ' ' LEU . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' LYS . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 75.439999999999998 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.150000000000006 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.340000000000003 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.430000000000007 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.340000000000003 109.329 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 75.409999999999997 109.342 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.340000000000003 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.647 ' CB ' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 70.540000000000006 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 71.329999999999998 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.200000000000003 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.120000000000005 109.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.400000000000006 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.530000000000001 109.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 74.540000000000006 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 110' ' ' THR . 2.2 mt 72.64 4.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 109.286 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.03 52.28 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 71.439999999999998 111.027 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 10.8 mp0 -99.81 178.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.310000000000002 110.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' GLU . 8.7 ptmm? 39.74 60.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 74.400000000000006 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 117' ' ' THR . 2.3 pp -115.28 -10.61 12.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 72.329999999999998 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 1.5 p -161.04 147.08 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 74.120000000000005 110.351 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.32 -44.58 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 75.329999999999998 109.301 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -74.97 -3.12 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ALA . 37.1 tp10 -38.03 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.329999999999998 110.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -115.57 -37.69 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.519999999999996 109.304 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 2.1 tt0 -64.32 113.17 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 74.200000000000003 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -110.71 -174.73 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.569 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.5 ' CD2' ' N ' ' A' ' 124' ' ' HIS . 2.4 m170 -70.43 71.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.430000000000007 109.637 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -171.95 135.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 75.510000000000005 109.584 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -144.09 -175.59 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 64.310000000000002 109.646 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -57.92 -74.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.57 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 74.109999999999999 109.622 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.999 -0.371 . . . . 74.519999999999996 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -144.18 163.5 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.130000000000003 109.981 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -57.06 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 73.5 109.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 mt -86.81 124.61 33.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.530000000000001 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 110.262 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.099999999999994 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' GLN . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.25 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 109.264 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 27' ' ' ILE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.409999999999997 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.140000000000001 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.030000000000001 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.299999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.540000000000006 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.8 OUTLIER 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.291 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 13.1 p-10 -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.219999999999999 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.319999999999993 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.420000000000002 109.985 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 16' ' ' PHE . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.329999999999998 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.319999999999993 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.349999999999994 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.540000000000006 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.400000000000006 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.040000000000006 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.587 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.149999999999999 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.587 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.019999999999996 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.310000000000002 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 63.439999999999998 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.200000000000003 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' CG ' HD11 ' A' ' 41' ' ' LEU . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.530000000000001 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.350000000000001 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.030000000000001 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 74.349999999999994 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.549999999999997 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.150000000000006 109.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 71.329999999999998 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 75.040000000000006 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.441 HG13 ' CG ' ' A' ' 54' ' ' GLU . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 75.530000000000001 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.239999999999995 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.219999999999999 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.509999999999998 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.230000000000004 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 72.150000000000006 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 74.019999999999996 109.334 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.319999999999993 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 73.010000000000005 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 72.120000000000005 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.25 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.030000000000001 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.340000000000003 110.337 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.464 ' CD ' ' CD1' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -143.15 123.64 13.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.230000000000004 110.307 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.2 tp -109.48 -57.99 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' ASN . 38.2 ttpt -153.98 163.62 39.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 109.315 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 t -50.98 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.229999999999997 109.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' LYS . 26.4 m120 -141.32 -177.53 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -96.61 100.61 12.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.349999999999994 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -162.21 178.0 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 73.310000000000002 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.93 108.37 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 73.230000000000004 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 23.2 mm100 -113.24 -24.52 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 74.239999999999995 110.319 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 72.209999999999994 110.34 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? -65.47 -55.97 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.510000000000005 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.296 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.140000000000001 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.049999999999997 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 116' ' ' LEU . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.099999999999994 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 74.239999999999995 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 75.230000000000004 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 72.099999999999994 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 73.230000000000004 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 90' ' ' LYS . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.010000000000005 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.464 ' CD1' ' CD ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 71.120000000000005 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.306 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.010000000000005 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 110.289 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 73.310000000000002 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' NZ ' HD23 ' A' ' 18' ' ' LEU . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.400000000000006 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 92' ' ' PHE . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.340000000000003 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.450000000000003 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 71.349999999999994 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm 63.33 12.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 71.030000000000001 109.244 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.63 124.97 22.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 70.099999999999994 111.019 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.89 -174.75 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 73.010000000000005 110.303 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mttp 49.38 66.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 74.140000000000001 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CG2' ' A' ' 91' ' ' VAL . 1.6 pt? -161.25 124.7 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.7 p -133.16 -169.86 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.424 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -75.64 -12.39 60.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.99 -6.86 42.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 75.140000000000001 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -43.62 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.040000000000006 110.253 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 122' ' ' GLU . 1.4 pt? -112.27 -40.45 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 29.4 mt-10 -47.73 119.09 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 110.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -66.47 175.2 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.409999999999997 109.545 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 3.2 p-80 -63.77 -36.9 85.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 73.010000000000005 109.548 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 6.7 m80 -173.75 -179.6 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.576 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -85.21 151.81 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 109.613 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -135.86 141.84 44.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.150000000000006 109.611 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.040000000000006 109.619 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.969 -0.382 . . . . 70.409999999999997 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -128.07 93.86 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 70.129999999999995 109.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -48.84 161.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 75.120000000000005 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.5 mt -94.18 127.4 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 73.120000000000005 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.140000000000001 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.140000000000001 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 74.010000000000005 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.109999999999999 109.323 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.530000000000001 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.420000000000002 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.239999999999995 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 75.019999999999996 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 75.329999999999998 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 64.299999999999997 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 60.439999999999998 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' CE1' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.409999999999997 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.400000000000006 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 65.5 110.031 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.530000000000001 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.400000000000006 109.28 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 72.310000000000002 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.120000000000005 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.510000000000005 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.430000000000007 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.120000000000005 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 73.049999999999997 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.299999999999997 110.99 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 65.239999999999995 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.120000000000005 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.409999999999997 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 74.030000000000001 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.200000000000003 109.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.422 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 74.030000000000001 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.439999999999998 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.399999999999999 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 HG12 ' CD2' ' A' ' 71' ' ' LEU . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 72.349999999999994 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 63.350000000000001 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 64.140000000000001 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.539999999999999 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.539999999999999 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.340000000000003 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.510000000000005 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 110.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.209999999999994 110.331 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.25 109.31 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.349999999999994 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.49 ' NH2' ' NE2' ' A' ' 75' ' ' GLN . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' NH2' ' A' ' 74' ' ' ARG . 34.5 mt-30 -68.09 110.85 4.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.5 110.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 77' ' ' LYS . 6.1 tt -173.5 164.76 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.7 151.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 73.120000000000005 109.279 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.54 ' OG ' ' CE1' ' A' ' 127' ' ' HIS . 2.2 t -39.91 118.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -163.23 171.88 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.010000000000005 109.275 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.22 95.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 71.129999999999995 109.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 m -176.21 157.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 70.510000000000005 109.958 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.59 111.75 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 71.439999999999998 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -104.2 2.72 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.409999999999997 110.306 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.46 -27.46 46.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 75.349999999999994 110.322 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -78.41 -23.2 46.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 74.150000000000006 109.341 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.430000000000007 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 71.120000000000005 110.309 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' CE1' HD13 ' A' ' 85' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 63.340000000000003 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' NZ ' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.219999999999999 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.340000000000003 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 72.140000000000001 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.409999999999997 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.530000000000001 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.140000000000001 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 75' ' ' GLN . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.329999999999998 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.430000000000007 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.572 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 75.25 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.319999999999993 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 108' ' ' VAL . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 73.129999999999995 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.349999999999994 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.329999999999998 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 74.319999999999993 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 60.530000000000001 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.33 7.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.549999999999997 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.39 119.57 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 75.420000000000002 110.982 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.52 -43.98 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 43.530000000000001 110.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -48.4 113.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 63.450000000000003 109.269 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.33 118.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -127.31 -168.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 60.100000000000001 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -96.01 -49.68 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.45 -5.01 37.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.129999999999995 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.496 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 4.3 tp10 -39.15 -42.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 72.209999999999994 110.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -115.43 -37.92 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 73.25 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.2 95.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 110.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -113.3 -13.79 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.609 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 123' ' ' HIS . 20.1 m-70 -174.45 130.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 109.621 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.89 122.77 16.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 109.587 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -175.27 152.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 74.530000000000001 109.579 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.54 ' CE1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -174.99 167.19 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 62.399999999999999 109.608 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 75.519999999999996 109.633 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.039 -0.356 . . . . 71.450000000000003 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -98.13 111.69 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 109.922 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.85 158.92 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 75.439999999999998 109.349 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 73' ' ' SER . 59.4 mt -83.8 134.71 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.530000000000001 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 74.409999999999997 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' CG2' ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.400000000000006 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' CB ' ' CB ' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.040000000000006 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' NZ ' ' CG2' ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.200000000000003 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.450000000000003 109.323 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 74.219999999999999 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 73.349999999999994 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.420000000000002 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.030000000000001 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.030000000000001 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 73.239999999999995 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.230000000000004 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 63.229999999999997 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 63.109999999999999 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.140000000000001 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 74.129999999999995 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.310000000000002 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.25 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 73.010000000000005 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 74.549999999999997 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 73.010000000000005 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 74.409999999999997 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.549999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.329999999999998 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' CB ' HD21 ' A' ' 85' ' ' LEU . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.237 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CG2' HD11 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 54.340000000000003 109.327 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.409999999999997 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 75.109999999999999 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 74.409999999999997 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.120000000000005 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 28.6 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.549999999999997 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 73.150000000000006 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.120000000000005 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.219999999999999 110.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.019999999999996 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.319999999999993 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.310000000000002 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.430000000000007 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ALA . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.530000000000001 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' A' ' 86' ' ' LEU . 2.9 mp0 -90.41 8.62 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.020000000000003 110.277 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -127.88 15.48 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.340000000000003 109.311 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' ASN . 16.3 ttpp -73.78 174.54 8.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 71.409999999999997 109.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -39.39 -30.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 62.310000000000002 109.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' LYS . 62.9 t-20 -88.34 112.91 23.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 64.140000000000001 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -76.82 59.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 71.430000000000007 109.284 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -176.19 175.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 74.040000000000006 109.963 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CD ' ' CD1' ' A' ' 86' ' ' LEU . 4.8 tt0 -74.73 164.63 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.540000000000006 110.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -122.15 -163.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 74.400000000000006 110.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -91.98 -7.8 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 75.219999999999999 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 1.7 tm? -90.12 -46.22 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.230000000000004 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 75.25 110.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 118' ' ' ASP . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.010000000000005 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HD3' ' CD2' ' A' ' 121' ' ' LEU . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.420000000000002 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.040000000000006 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.239999999999995 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.109999999999999 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' OD2' ' O ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.340000000000003 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.219999999999999 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 74.099999999999994 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.337 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.517 ' CB ' ' CB ' ' A' ' 11' ' ' GLU . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 63.329999999999998 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.150000000000006 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 60.329999999999998 110.309 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 63.420000000000002 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.557 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.450000000000003 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.329999999999998 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm 70.3 7.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.420000000000002 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.88 98.63 1.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 64.530000000000001 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 11.0 mt-10 -89.21 -44.84 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 63.539999999999999 110.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -62.02 82.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.340000000000003 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' GLU . 2.3 mt -150.57 132.03 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 p -101.39 171.5 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 75.200000000000003 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 88' ' ' ALA . 92.5 m-20 -111.22 -30.09 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.74 23.01 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.109999999999999 109.308 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.59 -43.28 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 71.540000000000006 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -110.34 -24.82 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 75.549999999999997 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 7.2 tt0 -38.5 -39.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' GLU . 5.6 t-160 39.42 59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.129999999999995 109.578 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 5.3 p-80 -40.0 116.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 73.049999999999997 109.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 9.6 m170 -158.3 -176.17 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -79.17 116.26 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.209999999999994 109.631 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -120.48 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.239999999999995 109.609 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.329999999999998 109.628 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 74.530000000000001 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -90.48 -26.21 19.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 62.130000000000003 110.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -145.3 147.19 32.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.55 137.66 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 70.319999999999993 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.040000000000006 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.420000000000002 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 75.319999999999993 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.555 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CB ' ' CB ' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.319999999999993 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.099999999999994 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.019999999999996 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 63.299999999999997 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.319999999999993 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.430000000000007 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.319999999999993 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.349999999999994 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 62.420000000000002 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.420000000000002 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.140000000000001 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.119999999999997 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.140000000000001 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.310000000000002 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 72.540000000000006 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 29' ' ' SER . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 75.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.349999999999994 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.420000000000002 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.439999999999998 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.200000000000003 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.540000000000006 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.310000000000002 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.230000000000004 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 72.209999999999994 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.420000000000002 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 71.239999999999995 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 71.099999999999994 109.252 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 72.129999999999995 110.992 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.340000000000003 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 70.439999999999998 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG23 ' CG2' ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.450000000000003 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 74.530000000000001 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 62.149999999999999 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.409999999999997 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' HG23 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.019999999999996 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 65' ' ' PHE . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 64.25 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.549999999999997 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.656 ' CE ' ' CD2' ' A' ' 68' ' ' PHE . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.319999999999993 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.539999999999999 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 74.25 110.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -71.37 -172.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 54.340000000000003 110.291 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 14.6 tp -42.17 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.200000000000003 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' GLN . 13.3 tppt? -175.07 156.11 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.409999999999997 109.335 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.6 t -68.32 113.12 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 64.340000000000003 109.983 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.32 164.72 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 61.409999999999997 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -121.51 56.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 64.400000000000006 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.19 167.19 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 75.230000000000004 109.995 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.03 110.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 110.243 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.491 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 16.1 mt-30 -118.13 -8.2 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 110.308 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.6 -16.83 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 71.209999999999994 110.31 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.4 tm? -65.14 -12.22 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 83' ' ' GLN . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 74.25 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 71.310000000000002 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.109999999999999 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.040000000000006 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 75.239999999999995 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.239999999999995 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.129999999999995 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 73.420000000000002 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.549999999999997 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 75.349999999999994 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 76' ' ' LEU . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.310000000000002 111.065 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.434 ' CB ' ' OD1' ' A' ' 97' ' ' ASP . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 63.350000000000001 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 74.530000000000001 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.477 ' CB ' ' CB ' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.219999999999999 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.420000000000002 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.349999999999994 109.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 113' ' ' GLY . 8.0 mt -42.22 163.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 171.61 -172.75 44.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 71.230000000000004 110.972 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -38.85 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 73.340000000000003 110.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -142.09 -178.12 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -171.55 124.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 53.4 p -106.79 -170.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 73.140000000000001 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.43 -27.22 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.56 -0.03 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 75.400000000000006 109.335 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.91 -40.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -112.4 -67.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.230000000000004 109.315 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.16 80.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 72.549999999999997 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.08 165.12 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.230000000000004 109.594 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 151.75 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 74.019999999999996 109.569 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -108.58 156.07 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.554 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -115.47 18.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 109.567 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.78 114.19 27.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 109.57 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.464 ' C ' ' CD2' ' A' ' 128' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 109.593 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.02 -0.363 . . . . 51.520000000000003 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 134.33 43.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 75.430000000000007 110.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -67.96 -175.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.281 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.05 176.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.276 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 75.019999999999996 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 72.25 110.324 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 110.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.510000000000005 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.030000000000001 110.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 75.540000000000006 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.109999999999999 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' NZ ' HG21 ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.109999999999999 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 73.409999999999997 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 75.329999999999998 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 25.239999999999998 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.349999999999994 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 73.510000000000005 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' CA ' HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.200000000000003 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.099999999999994 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD2' ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.409999999999997 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.400000000000006 109.259 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.049999999999997 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.466 ' CE ' HD22 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 73.140000000000001 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.439999999999998 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.140000000000001 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD22 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 74.150000000000006 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.549999999999997 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.129999999999995 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 46' ' ' ALA . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 74.319999999999993 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.019999999999996 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 29' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.530000000000001 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 70.030000000000001 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.340000000000003 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 63' ' ' ILE . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.319999999999993 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 74.5 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.310000000000002 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' CG2' HG22 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.430000000000007 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 63.240000000000002 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.329999999999998 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.310000000000002 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 75.120000000000005 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CE ' ' A' ' 52' ' ' MET . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.450000000000003 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.200000000000003 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.140000000000001 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 110.3 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.150000000000006 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.310000000000002 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' LEU . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 110.018 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.219999999999999 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 3.1 mp0 -89.36 41.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.409999999999997 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' SER . 22.8 tp -101.94 149.02 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 109.244 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -26.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.430000000000007 109.293 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 76' ' ' LEU . 20.5 t -94.88 51.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 72.230000000000004 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -51.63 -66.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 109.262 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 t0 48.98 33.26 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.271 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -169.12 158.71 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 71.209999999999994 109.992 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.44 137.38 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 75.349999999999994 110.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -97.88 5.87 48.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.120000000000005 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.21 -27.24 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 71.030000000000001 110.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.79 -45.67 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 64.439999999999998 109.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.299999999999997 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 63.399999999999999 110.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.030000000000001 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CZ ' HD22 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' NZ ' ' HA2' ' A' ' 98' ' ' GLY . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CG ' ' CG1' ' A' ' 108' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.420000000000002 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.340000000000003 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.530000000000001 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 72.129999999999995 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 73.510000000000005 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 65.099999999999994 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 75.219999999999999 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 75.219999999999999 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.420000000000002 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 73.010000000000005 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.319999999999993 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.57 ' CG1' ' CG ' ' A' ' 92' ' ' PHE . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.010000000000005 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.519999999999996 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.299999999999997 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mm 67.95 9.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.439999999999998 109.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.53 123.11 6.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 70.340000000000003 111.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -45.65 163.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 73.140000000000001 110.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -43.86 113.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 72.109999999999999 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.39 143.33 44.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 75.299999999999997 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -38.68 133.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 75.530000000000001 110.444 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.98 -21.54 60.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 73.140000000000001 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.55 -4.15 35.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 73.5 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 12.2 tp10 -38.9 -55.04 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 73.239999999999995 110.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -95.17 -43.32 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.109999999999999 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.37 81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 110.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 123' ' ' HIS . 3.4 p80 -152.62 105.62 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.605 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 126' ' ' HIS . 14.5 t60 -161.64 130.91 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.099999999999994 109.602 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -46.51 96.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.319999999999993 109.614 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' HIS . 2.0 p-80 -63.13 160.39 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 60.530000000000001 109.592 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -103.37 -73.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.596 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.409999999999997 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.995 -0.372 . . . . 70.5 109.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.31 22.02 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 71.099999999999994 109.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -159.96 -179.36 7.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 73.319999999999993 109.337 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.29 148.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 65.319999999999993 109.289 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 74.010000000000005 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.329999999999998 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.019999999999996 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.400000000000006 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.340000000000003 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.69 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 73.310000000000002 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 70.510000000000005 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.340000000000003 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 63.399999999999999 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.019999999999996 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.030000000000001 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 71.099999999999994 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.430000000000007 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.555 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.030000000000001 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.439999999999998 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.239999999999995 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.209999999999994 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.040000000000006 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.510000000000005 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.521 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.400000000000006 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 72.319999999999993 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 64.430000000000007 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.409999999999997 109.293 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 74.510000000000005 111.039 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.483 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 64.409999999999997 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 75.439999999999998 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.129999999999995 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.109999999999999 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.329999999999998 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.430000000000007 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.299999999999997 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.530000000000001 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 71.120000000000005 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.310000000000002 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.340000000000003 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.230000000000004 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 71.209999999999994 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 64.540000000000006 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 62.210000000000001 110.315 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.040000000000006 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.310000000000002 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.409999999999997 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.040000000000006 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.540000000000006 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.120000000000005 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 76' ' ' LEU . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.109999999999999 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.74 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.439999999999998 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.502 ' H ' ' NE2' ' A' ' 83' ' ' GLN . 7.6 tp -173.96 150.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 109.336 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -65.38 -15.79 62.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.010000000000005 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -123.28 102.9 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 73.530000000000001 109.98 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -175.28 116.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.019999999999996 109.257 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.79 59.18 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.31 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 6.0 p -161.84 157.92 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 8.9 tt0 -38.92 121.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 70.430000000000007 110.345 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.502 ' NE2' ' H ' ' A' ' 76' ' ' LEU . 30.1 mt-30 -116.02 -10.65 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 110.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.38 -8.87 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.129999999999995 110.291 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.58 -24.09 66.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 72.219999999999999 109.318 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.230000000000004 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.409999999999997 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' CE ' HD12 ' A' ' 121' ' ' LEU . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.519999999999996 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.030000000000001 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 108' ' ' VAL . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.299999999999997 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 64.420000000000002 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.129999999999995 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.310000000000002 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 75.219999999999999 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 70.230000000000004 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 71.099999999999994 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.340000000000003 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.319999999999993 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.69 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' VAL . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 75.209999999999994 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 75.400000000000006 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 75.230000000000004 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 73.209999999999994 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.420000000000002 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.7 mp -40.7 145.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 70.310000000000002 109.301 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 112' ' ' ILE . . . 158.36 -166.37 34.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 74.329999999999998 111.053 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.82 179.03 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 74.209999999999994 110.267 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm 52.24 40.16 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 75.450000000000003 109.315 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 117' ' ' THR . 6.1 mt -127.97 130.0 47.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 73.420000000000002 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 2.8 p -156.67 150.59 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 62.240000000000002 110.431 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 1.74 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 72.239999999999995 109.305 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.13 22.1 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 60.130000000000003 109.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' CD ' ' CG ' ' A' ' 90' ' ' LYS . 10.0 tt0 -59.62 -57.9 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 53.200000000000003 110.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.453 HD12 ' CE ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -114.76 -9.24 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 75.239999999999995 109.269 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.81 54.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 75.530000000000001 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -90.85 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 72.420000000000002 109.624 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 126' ' ' HIS . 1.7 t60 -157.35 106.3 2.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.030000000000001 109.565 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 59.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 55.310000000000002 109.616 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 9.2 t60 -117.36 87.61 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 109.634 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -63.28 126.87 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.616 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 71.310000000000002 109.587 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.995 -0.372 . . . . 73.430000000000007 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 49.83 52.46 14.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 75.239999999999995 110.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.07 148.22 30.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.109999999999999 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.34 129.67 34.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.230000000000004 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.109999999999999 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.319999999999993 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.519999999999996 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 65.010000000000005 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.662 ' CE1' ' CB ' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 75.409999999999997 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 16' ' ' PHE . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 62.229999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 71.219999999999999 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.150000000000006 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD1' HD13 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 75.430000000000007 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.230000000000004 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.409999999999997 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.239999999999995 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.530000000000001 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.540000000000006 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.439999999999998 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.209999999999994 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 73.010000000000005 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.420000000000002 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 74.329999999999998 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.400000000000006 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.340000000000003 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.493 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 75.150000000000006 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.329999999999998 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 73.030000000000001 109.299 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 61.420000000000002 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 75.230000000000004 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.41 ' N ' HD11 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 71.340000000000003 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.239999999999995 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' LEU . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.109999999999999 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.420000000000002 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 74.340000000000003 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 75.230000000000004 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 74.200000000000003 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.120000000000005 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.129999999999995 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.239999999999995 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 54.450000000000003 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 72.299999999999997 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.040000000000006 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.120000000000005 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.030000000000001 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.349999999999994 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.230000000000004 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 75.109999999999999 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 65' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.010000000000005 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.140000000000001 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 75.409999999999997 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.310000000000002 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.319999999999993 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 -61.81 -13.52 24.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 110.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 72.040000000000006 109.34 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -117.75 -5.84 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 73.219999999999999 109.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 8.4 t -38.91 -46.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 110.025 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 81' ' ' SER . 5.9 p30 -57.97 141.37 49.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.099999999999994 109.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -40.31 -29.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 63.240000000000002 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 79' ' ' ASN . 14.5 m -159.23 138.3 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 75.239999999999995 109.999 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.58 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.439999999999998 110.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' OE1' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.57 -173.34 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' LEU . 20.9 mp0 -94.08 -20.63 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 75.420000000000002 110.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 89' ' ' PHE . 1.6 tm? -39.99 -63.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 73.299999999999997 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 121' ' ' LEU . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.030000000000001 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.040000000000006 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' NZ ' ' N ' ' A' ' 98' ' ' GLY . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 70.310000000000002 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 70.519999999999996 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.310000000000002 110.022 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 115' ' ' LYS . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.299 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.209999999999994 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 73.450000000000003 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.497 ' N ' ' NZ ' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.450000000000003 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.329999999999998 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 55.420000000000002 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 110.262 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 75.040000000000006 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 71.109999999999999 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 65.349999999999994 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 75.040000000000006 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm 69.72 7.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.400000000000006 109.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.02 123.03 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 53.219999999999999 110.971 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 13.5 mt-10 -83.78 -36.62 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 75.209999999999994 110.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' CB ' ' NZ ' ' A' ' 115' ' ' LYS . 6.0 mtpm? -56.79 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.452 ' CD1' ' HB ' ' A' ' 91' ' ' VAL . 3.9 pp -170.86 155.53 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 63.049999999999997 109.272 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 2.3 p -157.89 159.85 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.389 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -87.95 -5.25 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 75.530000000000001 109.267 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 123' ' ' HIS . . . -92.03 22.99 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 61.340000000000003 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.6 -60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 110.343 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 HD11 ' CE ' ' A' ' 90' ' ' LYS . 2.4 mt -110.31 -10.63 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 78.1 mt-10 -72.74 -1.32 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 110.337 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 5.3 m170 -68.79 -171.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.439999999999998 109.591 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -83.62 105.55 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 75.219999999999999 109.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -133.8 -76.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.581 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -114.19 -76.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 75.420000000000002 109.597 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.7 t60 66.76 36.66 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 109.618 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 128' ' ' HIS . 10.4 t-80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 72.230000000000004 109.632 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.03 -0.359 . . . . 71.409999999999997 110.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.53 -69.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 110.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -133.75 160.2 38.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 71.010000000000005 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 6.4 mp -54.87 175.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 75.109999999999999 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.299999999999997 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.409999999999997 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.430000000000007 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.030000000000001 109.319 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 69' ' ' LEU . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.409999999999997 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.049999999999997 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.340000000000003 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.25 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.040000000000006 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.209999999999994 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.130000000000003 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 73.400000000000006 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.109999999999999 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.109999999999999 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 63.399999999999999 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.340000000000003 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.420000000000002 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.140000000000001 109.29 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' CD2' ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 65.099999999999994 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.310000000000002 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 64.549999999999997 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.140000000000001 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 72.409999999999997 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.510000000000005 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.340000000000003 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 71.540000000000006 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.109999999999999 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.420000000000002 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.319999999999993 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 74.329999999999998 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.120000000000005 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 71' ' ' LEU . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 65.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 74.439999999999998 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.400000000000006 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 63.009999999999998 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.530000000000001 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.7 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 73.239999999999995 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 52' ' ' MET . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 75.540000000000006 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 65.439999999999998 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 64.109999999999999 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.239999999999995 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.5 110.982 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 12' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 74.209999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.409999999999997 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.552 ' HE2' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.099999999999994 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.310000000000002 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.466 ' CB ' HD11 ' A' ' 99' ' ' LEU . 2.9 mp0 -58.44 -176.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.430000000000007 110.315 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.517 ' N ' HE22 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -69.61 72.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 109.287 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 79' ' ' ASN . 7.6 ptpt -175.11 141.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 75.420000000000002 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t 39.46 30.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.040000000000006 109.994 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 77' ' ' LYS . 21.3 t-20 -175.27 116.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 73.010000000000005 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -121.51 21.68 10.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 62.539999999999999 109.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.8 t -76.21 -73.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 73.099999999999994 109.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -111.43 113.37 25.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 74.219999999999999 110.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.541 ' NE2' ' CD2' ' A' ' 86' ' ' LEU . 30.7 mm100 -120.23 11.64 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 110.254 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.4 -7.65 31.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 61.409999999999997 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.7 tm? -84.03 -38.1 21.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 65.129999999999995 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.541 ' CD2' ' NE2' ' A' ' 83' ' ' GLN . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.430000000000007 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.140000000000001 110.325 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 72.219999999999999 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CD2' HD11 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.010000000000005 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.562 ' CG1' ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 72.150000000000006 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 74.129999999999995 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 65.040000000000006 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 71.109999999999999 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.481 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 63.43 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.310000000000002 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 70.219999999999999 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.129999999999995 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.349999999999994 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.219999999999999 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.409999999999997 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.575 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.430000000000007 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.409999999999997 109.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 74.140000000000001 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mm 61.28 13.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 75.200000000000003 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -70.98 74.86 0.62 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 70.140000000000001 111.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -36.07 -59.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 75.430000000000007 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -44.25 136.52 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.306 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' CB ' HG23 ' A' ' 91' ' ' VAL . 1.5 pt? -174.83 134.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.7 p -148.63 -175.4 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.150000000000006 110.383 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.36 -35.65 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 71.439999999999998 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.69 17.91 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.301 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 3.5 tp10 -69.06 -29.12 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.245 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.493 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 1.1 pt? -115.34 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 75.340000000000003 109.323 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -53.94 111.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 121' ' ' LEU . 23.9 m80 -123.31 153.45 40.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.609 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 37.7 m80 -40.71 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.25 109.628 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 16.5 m170 -164.49 158.6 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.310000000000002 109.6 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -108.33 142.92 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.310000000000002 109.597 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.42 164.68 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 70.409999999999997 109.568 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 71.109999999999999 109.569 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.996 -0.372 . . . . 75.319999999999993 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -115.15 44.43 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.956 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -62.31 145.66 53.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 74.140000000000001 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.39 141.58 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 73.129999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.319999999999993 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.439999999999998 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.099999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.310000000000002 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.099999999999994 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.540000000000006 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 109.306 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.040000000000006 109.262 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.450000000000003 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' CG2' ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 74.329999999999998 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.219999999999999 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.519999999999996 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.109999999999999 110.003 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.299999999999997 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.430000000000007 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' CA ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 72.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.209999999999994 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.409999999999997 110.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.209999999999994 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.430000000000007 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.519999999999996 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.549999999999997 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.219999999999999 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 52.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.140000000000001 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 72.010000000000005 109.986 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG11 ' CA ' ' A' ' 29' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 72.019999999999996 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.329999999999998 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 64.340000000000003 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.35 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 71' ' ' LEU . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 75.200000000000003 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 74.019999999999996 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.310000000000002 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.310000000000002 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.519999999999996 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.420000000000002 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.200000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 65.230000000000004 111.029 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.5 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.049999999999997 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 105' ' ' LEU . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 111.058 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.120000000000005 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 75.409999999999997 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.030000000000001 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -78.13 -17.58 56.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 74.019999999999996 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mp -42.14 -34.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 75.430000000000007 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -40.62 116.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 109.325 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 48.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.210000000000001 109.986 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -175.49 129.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 75.430000000000007 109.246 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.17 91.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 109.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 t -112.15 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.052 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.6 tp10 -80.61 -72.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 73.120000000000005 110.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 40.39 28.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.254 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' GLU . 14.6 tt0 -98.07 -37.64 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 70.310000000000002 110.339 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.1 tm? -93.6 -20.55 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.430000000000007 110.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.099999999999994 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 121' ' ' LEU . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.356 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.299999999999997 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.656 ' CE1' ' CG1' ' A' ' 91' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 71.239999999999995 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.450000000000003 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.302 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.430000000000007 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.200000000000003 110.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.329999999999998 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.439999999999998 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 72.200000000000003 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.56 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 73.310000000000002 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 68' ' ' PHE . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 74.5 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.64 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 73.439999999999998 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.310000000000002 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.420000000000002 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 113' ' ' GLY . 5.2 mt -41.75 -91.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 72.450000000000003 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.501 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 82.71 -139.28 19.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 54.200000000000003 111.019 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.22 -174.82 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 75.450000000000003 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -46.55 132.79 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 75.25 109.332 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.11 155.0 48.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 74.349999999999994 109.293 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -141.05 177.1 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 72.140000000000001 110.407 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -96.42 14.85 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -99.43 16.44 23.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 74.019999999999996 109.31 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -48.11 -48.07 34.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 63.030000000000001 110.332 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' CD2' ' HD3' ' A' ' 90' ' ' LYS . 1.8 pt? -115.52 -38.24 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.209999999999994 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.47 79.57 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 110.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -80.11 75.92 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 75.209999999999994 109.574 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.73 ' CD2' ' CD2' ' A' ' 125' ' ' HIS . 15.4 t60 -109.43 169.87 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.409999999999997 109.59 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.73 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 21.7 p80 -46.65 110.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 70.439999999999998 109.575 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -64.14 125.4 24.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 74.450000000000003 109.612 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.65 -177.98 5.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 65.150000000000006 109.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 109.6 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.016 -0.364 . . . . 72.239999999999995 110.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -98.02 9.1 43.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.209999999999994 110.031 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -156.55 172.43 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 71.549999999999997 109.265 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.42 130.33 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 75.510000000000005 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.519999999999996 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.450000000000003 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 74.109999999999999 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.129999999999995 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.637 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 73.400000000000006 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' PHE . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.420000000000002 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.263 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 74.140000000000001 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 71.219999999999999 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 74.420000000000002 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CD1' ' CG1' ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 74.129999999999995 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.239999999999995 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 71.5 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 73.109999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.150000000000006 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.340000000000003 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.418 ' CB ' ' HG3' ' A' ' 52' ' ' MET . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.340000000000003 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.299999999999997 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.349999999999994 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.420000000000002 109.322 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 65.25 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.482 ' CE ' ' CD1' ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 74.439999999999998 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.509999999999998 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.239999999999995 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 74.040000000000006 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 74.140000000000001 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.140000000000001 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.399999999999999 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.019999999999996 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.310000000000002 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.400000000000006 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.557 ' CE ' ' CD1' ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.329999999999998 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 51' ' ' LEU . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.219999999999999 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.140000000000001 109.311 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.549999999999997 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 75.519999999999996 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.329999999999998 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 72.450000000000003 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CD1' ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.519999999999996 111.001 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.150000000000006 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' ALA . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.209999999999994 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.099999999999994 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.519999999999996 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.62 23.73 5.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.75 16.07 4.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 75.019999999999996 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -152.43 149.36 28.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.299999999999997 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -44.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 53.509999999999998 110.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 3.7 m120 -100.08 -174.76 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.019999999999996 109.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -86.44 48.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m 56.43 24.88 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.530000000000001 109.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.76 108.75 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -134.08 8.83 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.294 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 -29.97 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.439999999999998 110.274 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -75.54 -50.38 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 74.219999999999999 109.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.439999999999998 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' CD ' ' CD ' ' A' ' 122' ' ' GLU . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 75.150000000000006 110.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' CB ' ' CG ' ' A' ' 118' ' ' ASP . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.530000000000001 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CD1' HD12 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.510000000000005 109.332 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CD1' HG22 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.239999999999995 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.120000000000005 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.120000000000005 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 75.109999999999999 109.292 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 72.510000000000005 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.414 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.409999999999997 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 75.019999999999996 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 73.319999999999993 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.230000000000004 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.319999999999993 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 109.273 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 92' ' ' PHE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 18' ' ' LEU . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.209999999999994 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 61.25 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.2 mp -40.34 156.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.44 -6.71 12.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.981 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.67 -168.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 72.319999999999993 110.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' N ' ' A' ' 117' ' ' THR . 4.9 mtmp? -78.33 0.81 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.56 27.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.409999999999997 109.335 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.441 ' N ' ' C ' ' A' ' 115' ' ' LYS . 2.0 p -91.75 137.97 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.415 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.493 ' CG ' ' CB ' ' A' ' 88' ' ' ALA . 5.9 m-20 -95.86 -29.49 14.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.12 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.439999999999998 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -38.9 -43.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.19 -20.69 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.402 ' CD ' ' CD ' ' A' ' 87' ' ' GLU . 7.7 mt-10 -103.71 45.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 75.400000000000006 109.594 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -131.62 -174.55 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.561 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.78 169.84 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 72.530000000000001 109.617 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.01 32.38 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 75.040000000000006 109.607 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -84.98 135.82 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 109.584 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 128' ' ' HIS . 22.4 t-160 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 71.420000000000002 109.597 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.981 -0.377 . . . . 73.299999999999997 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -61.69 -28.32 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 73.299999999999997 110.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -145.36 165.89 27.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 72.5 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 8.7 mt -80.61 135.1 36.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.400000000000006 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.25 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.510000000000005 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.140000000000001 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.219999999999999 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 75.540000000000006 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.535 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' NZ ' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 74.450000000000003 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 55.439999999999998 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.230000000000004 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.010000000000005 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.420000000000002 109.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 75.129999999999995 109.314 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.120000000000005 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 62.329999999999998 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 72.120000000000005 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.140000000000001 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 73.450000000000003 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.455 ' CB ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 65.439999999999998 110.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.439999999999998 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.299999999999997 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.120000000000005 109.28 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 74.340000000000003 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.510000000000005 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.56 ' CB ' ' CG ' ' A' ' 43' ' ' PRO . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 74.209999999999994 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.439999999999998 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 72.450000000000003 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 71.25 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 73.299999999999997 109.302 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CG ' ' CB ' ' A' ' 36' ' ' MET . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.400000000000006 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 72.430000000000007 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.219999999999999 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.030000000000001 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 75.409999999999997 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' CG ' ' A' ' 54' ' ' GLU . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.200000000000003 109.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.099999999999994 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.329999999999998 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.329999999999998 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.010000000000005 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.361 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.510000000000005 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.450000000000003 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.120000000000005 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.439999999999998 110.295 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 72.120000000000005 110.968 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.040000000000006 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.299999999999997 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.340000000000003 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 82' ' ' GLU . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.200000000000003 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.83 141.15 55.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 110.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mp 62.18 43.57 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 75.109999999999999 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -174.82 146.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 74.430000000000007 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -55.15 141.06 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 74.450000000000003 110.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -140.26 161.92 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -80.69 54.99 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 109.245 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m 63.94 22.67 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 62.039999999999999 110.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 82.0 tt0 -75.93 -81.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 110.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.6 mm-40 33.35 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 72.140000000000001 110.299 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CG ' ' CG ' ' A' ' 82' ' ' GLU . 2.0 pt-20 -99.74 -21.21 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 74.329999999999998 110.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 89' ' ' PHE . 2.9 mm? -89.16 14.3 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 71.030000000000001 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 72.549999999999997 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.552 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.239999999999995 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 85' ' ' LEU . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' CB ' HD21 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.329999999999998 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 116' ' ' LEU . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.348 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 72.030000000000001 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.219999999999999 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 54.200000000000003 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.150000000000006 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 74.420000000000002 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.100000000000001 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.531 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 73.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.099999999999994 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.439999999999998 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.341 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 73.299999999999997 109.328 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.329999999999998 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.629 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 72.5 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 75.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 71.5 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm 68.97 7.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.319 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.64 110.76 3.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 34.509999999999998 111.032 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.462 ' O ' ' CD1' ' A' ' 116' ' ' LEU . 1.7 mp0 -45.81 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 74.409999999999997 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -40.81 104.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 73.25 109.239 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 114' ' ' GLU . 3.0 mp -84.99 -174.98 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 72.140000000000001 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 p -114.26 165.23 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 110.384 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.01 -20.52 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 74.140000000000001 109.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.88 -0.76 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.539999999999999 109.296 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.91 -61.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 65.310000000000002 110.267 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 90' ' ' LYS . 2.0 pt? -110.97 -36.92 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.455 ' CG ' ' HG2' ' A' ' 87' ' ' GLU . 7.3 mm-40 -38.96 139.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 75.219999999999999 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -163.23 -178.44 5.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 74.040000000000006 109.632 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 1.8 p80 -60.93 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 74.409999999999997 109.549 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -124.82 56.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.450000000000003 109.607 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -102.89 144.44 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 74.349999999999994 109.556 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -117.48 -59.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 64.209999999999994 109.592 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.7 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.319999999999993 109.555 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.943 -0.391 . . . . 75.140000000000001 109.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -56.43 153.99 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 110.014 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -146.69 145.0 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 64.109999999999999 109.284 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.76 139.09 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 74.329999999999998 109.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.519999999999996 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 110.277 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 72.109999999999999 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.019999999999996 109.258 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CE1' ' HB1' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.25 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.099999999999994 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.450000000000003 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.129999999999995 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 111.027 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 74.239999999999995 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 73.310000000000002 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 71.239999999999995 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.109999999999999 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.510000000000005 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.439999999999998 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.239999999999995 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.219999999999999 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.257 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.219999999999999 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.540000000000006 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 74.450000000000003 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' HD21 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.140000000000001 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 75.219999999999999 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.049999999999997 111.044 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.140000000000001 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.010000000000005 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.409999999999997 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.150000000000006 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 63' ' ' ILE . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 73.209999999999994 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.540000000000006 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 71.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 72.019999999999996 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 63.43 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 72.310000000000002 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 71.209999999999994 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 64.219999999999999 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 75.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.340000000000003 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 HD13 ' CG2' ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 72.209999999999994 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.150000000000006 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 65.430000000000007 110.259 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 55.119999999999997 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 74.049999999999997 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.400000000000006 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ALA . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.209999999999994 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.2 mp0 -105.32 73.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 110.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tp -125.23 -75.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.510000000000005 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -63.18 136.49 57.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 75.230000000000004 109.296 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 t -78.33 121.99 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 71.310000000000002 110.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.461 ' ND2' ' CA ' ' A' ' 128' ' ' HIS . 0.7 OUTLIER 66.22 46.26 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.140000000000001 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.92 173.09 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.319999999999993 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.7 m -94.72 -8.63 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 110.047 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -109.72 -14.24 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.439999999999998 110.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -70.91 -5.73 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 110.318 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -51.82 -21.06 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 110.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 1.6 tm? -92.3 23.64 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLN . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.200000000000003 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.437 ' N ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.439999999999998 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' CB ' ' OD2' ' A' ' 118' ' ' ASP . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.426 ' CG2' ' CD1' ' A' ' 116' ' ' LEU . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 109.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 72.329999999999998 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.340000000000003 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.150000000000006 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 75.329999999999998 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.450000000000003 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.299999999999997 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.129999999999995 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.539999999999999 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.019999999999996 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 75.230000000000004 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 102' ' ' ALA . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.299999999999997 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 73.439999999999998 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.584 ' CG2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 109.34 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.120000000000005 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm 63.98 12.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 71.450000000000003 109.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.39 130.39 34.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 72.409999999999997 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.15 -65.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 73.400000000000006 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.7 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 75.519999999999996 109.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.426 ' CD1' ' CG2' ' A' ' 91' ' ' VAL . 1.9 pt? -173.55 135.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 72.049999999999997 109.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.84 -179.55 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 110.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 88' ' ' ALA . 2.5 t0 -111.52 -32.9 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 109.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.02 20.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' OE1' ' CD2' ' A' ' 121' ' ' LEU . 1.0 OUTLIER -62.73 -35.38 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 73.430000000000007 110.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.1 mt -109.04 -52.29 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 124' ' ' HIS . 4.5 mt-10 -47.18 -24.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.239999999999995 110.33 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -40.57 -30.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 73.319999999999993 109.572 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 55.3 m80 -61.75 -173.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 62.530000000000001 109.636 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 1.5 m80 -150.63 174.76 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.633 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 59.91 40.87 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 63.399999999999999 109.545 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -65.32 88.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 75.230000000000004 109.615 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.461 ' CA ' ' ND2' ' A' ' 79' ' ' ASN . 2.2 t-160 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.540000000000006 109.584 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' OE1' ' A' ' 8' ' ' GLN . 7.4 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.33 -0.619 . . . . 53.35 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 72.33 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 65.41 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.02 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.601 ' OE1' HD23 ' A' ' 4' ' ' LEU . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.22 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.739 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.32 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.22 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.31 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CD2' HD21 ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.14 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' HD22 ' A' ' 18' ' ' LEU . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.23 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 65.13 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.14 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.01 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 70.02 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.31 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.3 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.43 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 73.41 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 61.23 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.41 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 50.54 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.33 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.11 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.33 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.31 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.53 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.24 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 33.31 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.42 109.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 53.14 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 31' ' ' GLU . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.33 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.52 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.55 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 54.32 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 54.24 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 63.22 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.14 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.52 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 62.23 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 62.42 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 63.21 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.34 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 44' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 70.21 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.31 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.55 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.24 109.335 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.604 ' HE1' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.12 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.44 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.1 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.008 HG22 HD12 ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.55 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 64.54 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.12 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.35 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.41 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.41 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 63' ' ' ILE . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.31 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HG22 ' A' ' 55' ' ' ILE . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.45 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.12 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.739 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.13 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 53.45 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.646 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 73.42 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' ILE . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.23 110.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 70.45 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.55 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.44 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HE3' ' HA ' ' A' ' 69' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 72.05 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 62.41 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.34 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.456 ' HB2' ' CD1' ' A' ' 99' ' ' LEU . 2.8 mp0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.31 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.31 -0.626 . . . . 73.43 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 52.01 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.54 110.304 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 91' ' ' VAL . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.33 109.266 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.24 110.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ASP . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.15 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.44 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 108' ' ' VAL . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.12 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.646 ' HB2' HG23 ' A' ' 100' ' ' ILE . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.21 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.15 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.44 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 53.11 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.1 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 72' ' ' MET . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.43 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 92' ' ' PHE . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.11 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 52.41 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.35 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 55.42 109.26 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' OE2' HG22 ' A' ' 100' ' ' ILE . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.2 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.23 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.05 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.12 109.574 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 51.4 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.1 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.51 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.11 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 39' ' ' LEU . 8.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.34 109.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD22 ' CE2' ' A' ' 12' ' ' PHE . 9.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 73.55 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.01 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.43 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 61.34 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.33 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.12 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.23 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 4' ' ' LEU . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.14 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.2 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.652 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.51 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.42 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.51 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.14 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CE1' HD21 ' A' ' 109' ' ' LEU . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 72.33 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' NZ ' HG21 ' A' ' 34' ' ' THR . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.41 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 54.44 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 54.11 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 52.25 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.43 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 60.45 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.1 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.697 ' HB3' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.02 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.22 110.253 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.44 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 32.33 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 43.4 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.42 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.777 ' CE ' HD21 ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 52.14 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 64.22 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 54.13 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.13 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.3 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.1 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.12 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.03 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.883 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.34 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 72.23 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 53.53 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.01 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 44' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 71.21 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.44 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 62.13 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 62.12 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.03 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.24 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 44.3 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.714 HG22 HD12 ' A' ' 63' ' ' ILE . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 50.24 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 54.34 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 63.44 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.01 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.11 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.41 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.41 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.714 HD12 HG22 ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.24 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.03 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' O ' HD13 ' A' ' 69' ' ' LEU . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 71.53 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.02 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.53 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.22 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 65' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.12 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.2 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.41 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.42 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 73.32 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.998 ' O ' HD12 ' A' ' 99' ' ' LEU . 32.7 mt-30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 44.22 110.281 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.9 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 75.03 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 64.33 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.21 110.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.44 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.12 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HZ1' ' HA2' ' A' ' 96' ' ' GLY . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 55.41 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 74.44 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 1.207 ' CD2' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 64.02 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.54 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.1 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.22 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.31 111.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.14 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.504 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 53.32 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 73.33 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.842 ' N ' HD23 ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 73.04 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 61.24 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.11 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.653 ' OE1' HG22 ' A' ' 100' ' ' ILE . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.43 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 64.24 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.1 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 62.53 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.207 HG21 ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 62.02 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.42 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 61.41 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.42 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.664 HG13 HD23 ' A' ' 39' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.14 109.337 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.298 -0.63 . . . . 70.1 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 73.41 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.03 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.14 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG23 ' CE1' ' A' ' 65' ' ' PHE . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.03 109.247 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.01 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.01 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.91 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 73.14 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.1 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 64.12 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.05 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 52.24 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.724 HD23 HD13 ' A' ' 109' ' ' LEU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' HD21 ' A' ' 109' ' ' LEU . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.14 111.025 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.34 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.33 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.33 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.11 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.23 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.22 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 63.22 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 74.13 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.42 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.04 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.31 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.34 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.22 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.21 109.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 60.23 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.936 ' SD ' HD21 ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.55 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 73.42 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.02 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 36' ' ' MET . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.12 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.53 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.936 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.35 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.05 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 73.43 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.34 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 44.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.3 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 44' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 54.3 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.43 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.14 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.33 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.641 ' HE1' HG12 ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 72.14 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.44 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.53 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.045 HG22 HD12 ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.11 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 52.13 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.23 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 50.34 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 43.24 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.4 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.552 ' C ' HD13 ' A' ' 63' ' ' ILE . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.32 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.045 HD12 HG22 ' A' ' 55' ' ' ILE . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.34 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.33 111.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.21 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.45 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.55 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD21 ' HD2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.21 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 61.31 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.23 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.41 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.11 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.43 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.709 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 71.53 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.54 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.573 ' CG ' HD13 ' A' ' 86' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.33 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 44.31 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 61.12 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' ASP . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.04 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.44 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 71.22 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 62.44 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 70.35 109.278 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.1 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 52.44 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.43 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 15.24 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.44 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' OE1' ' A' ' 104' ' ' GLU . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.35 109.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 51.12 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.91 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.42 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.04 109.267 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' OE1' HG22 ' A' ' 100' ' ' ILE . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 64.21 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.12 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.04 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.54 109.621 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.02 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.724 HD13 HD23 ' A' ' 18' ' ' LEU . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 44.42 109.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.42 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 52.25 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.567 HD13 HD23 ' A' ' 39' ' ' LEU . 4.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 63.44 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 73' ' ' SER . 6.6 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 72.23 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.1 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 53.43 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.1 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 70.13 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.702 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.45 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 55.44 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.33 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 62.24 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.45 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.559 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.13 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 64.54 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.13 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 70.42 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.591 HD23 HD13 ' A' ' 109' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 64.43 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.12 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 52.21 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.23 109.306 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 55.12 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.41 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 73.21 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.14 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 54.2 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.439 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.13 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 50.5 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 71.52 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 52.45 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.22 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD12 ' SD ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 51.42 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 53.04 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 70.35 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.52 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 62.01 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.14 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.41 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 35' ' ' VAL . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.41 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.34 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD12 ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 62.45 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 50.11 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.24 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 64.44 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 51.25 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 63.22 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.346 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.78 ' SD ' HD12 ' A' ' 32' ' ' LEU . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.3 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.32 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.958 HG12 HD22 ' A' ' 71' ' ' LEU . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.21 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 61.51 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.1 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.01 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.11 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.33 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.516 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.21 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 55' ' ' ILE . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.11 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.24 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.54 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.51 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.44 110.246 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HA ' HD21 ' A' ' 71' ' ' LEU . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 73.13 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 72.23 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.23 109.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.958 HD22 HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.24 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 54.31 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 4' ' ' LEU . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.24 109.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 63.23 110.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.14 110.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 71.14 109.328 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 87' ' ' GLU . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 54.44 109.275 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' A' ' 86' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.43 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.35 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.4 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' CE ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 61.24 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 41.12 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.849 ' HB3' HG11 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 71.53 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.51 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.41 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 74.3 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.13 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.33 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 54.35 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 61.41 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 92' ' ' PHE . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.21 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.44 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 63.11 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.43 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 1.036 ' O ' HG13 ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.4 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.02 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 109' ' ' LEU . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 65.22 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.036 HG13 ' O ' ' A' ' 104' ' ' GLU . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 61.03 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.13 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.33 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 61.34 109.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 12' ' ' PHE . 12.1 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 74.23 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.586 ' C ' HD12 ' A' ' 9' ' ' ILE . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.02 110.405 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.4 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 73.03 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.53 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.763 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.21 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.54 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 70.42 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.867 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.13 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.763 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 51.14 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 63.04 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.21 109.338 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.21 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.01 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.993 HD23 ' CD1' ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.41 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 72.34 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.21 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.744 ' NZ ' HG22 ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.42 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 52.33 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.35 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 63.12 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 43.15 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.21 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.11 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.15 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.01 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.44 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 55.54 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.744 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.3 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 54.44 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.816 ' CE ' HD21 ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.41 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.44 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 51.44 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.11 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.12 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.23 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.43 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.52 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.33 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 54.43 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 30.33 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.34 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 44' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 70.32 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.24 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.43 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.1 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.452 ' HE3' HD11 ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 45.31 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 72.13 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.23 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.764 HG22 HD12 ' A' ' 63' ' ' ILE . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.01 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 72.5 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.23 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.23 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.54 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.14 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.11 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.42 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.764 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.43 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.44 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.652 ' O ' HD13 ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.2 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.43 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.43 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.44 111.004 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 61.11 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.05 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.771 ' CD2' HH21 ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.13 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.859 ' SD ' HD13 ' A' ' 105' ' ' LEU . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 72.4 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.771 HH21 ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 62.44 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.72 ' HG2' HD12 ' A' ' 99' ' ' LEU . 19.1 mp0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.3 110.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.287 -0.635 . . . . 65.42 109.287 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.23 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.987 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.13 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.51 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 63.54 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 70.44 109.304 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.44 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.934 ' HB2' HG21 ' A' ' 100' ' ' ILE . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.34 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HB2' HG23 ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 54.24 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.23 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.13 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 33.24 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.31 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.32 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.72 HD12 ' HG2' ' A' ' 75' ' ' GLN . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.22 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.934 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.43 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 41.44 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.867 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 61.21 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.12 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.21 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.865 ' O ' HG22 ' A' ' 108' ' ' VAL . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.02 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HE3' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.34 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.33 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 105' ' ' LEU . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.42 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.993 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 60.52 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.44 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.24 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 109' ' ' LEU . 3.4 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 55.02 109.36 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 12' ' ' PHE . 40.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 75.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 64.41 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.45 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.32 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 54.24 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 70.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 23.01 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.45 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.12 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 63.41 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.54 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.11 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.31 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.4 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 35' ' ' VAL . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.24 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 60.13 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' CE ' HG21 ' A' ' 34' ' ' THR . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.44 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.33 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 55.12 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.34 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.42 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 74.34 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 HD23 ' A' ' 32' ' ' LEU . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.42 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.41 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.42 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 44.11 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.41 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.598 HG21 ' CE ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.11 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 51.23 109.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.11 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 54.35 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.23 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 52.21 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.21 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 74.42 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.23 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.41 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.43 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 51.4 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 61.23 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 44' ' ' SER . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.44 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 72.41 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.1 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.41 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.606 ' HE1' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.41 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 64.23 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.33 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.968 HG22 HD12 ' A' ' 63' ' ' ILE . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 73.51 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 74.13 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' OE1' ' A' ' 67' ' ' GLU . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 71.45 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 70.14 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.4 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.575 ' C ' HD13 ' A' ' 63' ' ' ILE . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.44 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.968 HD12 HG22 ' A' ' 55' ' ' ILE . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.15 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 71.4 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.83 ' O ' HD13 ' A' ' 69' ' ' LEU . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.42 111.039 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.41 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HA ' HD23 ' A' ' 71' ' ' LEU . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 70.34 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.83 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.3 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.03 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 54.53 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.33 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.1 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.786 HH22 HD11 ' A' ' 100' ' ' ILE . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.654 ' CG ' HD12 ' A' ' 99' ' ' LEU . 19.2 mp0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 70.24 110.312 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.777 HD12 ' NE ' ' A' ' 74' ' ' ARG . 2.8 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 71.33 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.584 ' HA ' HH21 ' A' ' 74' ' ' ARG . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.24 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.3 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 64.14 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.607 ' CE2' HD13 ' A' ' 71' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.43 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.51 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.14 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.993 ' HB2' HG21 ' A' ' 100' ' ' ILE . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 53.12 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 51.41 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 60.34 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.23 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 61.12 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.43 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' CG ' ' A' ' 75' ' ' GLN . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 51.02 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.993 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.42 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.13 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 63.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 53.23 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.52 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.14 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 65.41 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.92 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 53.32 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.859 ' HA ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 61.42 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 74.42 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.701 HD13 HD23 ' A' ' 39' ' ' LEU . 7.3 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.24 109.301 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 36.8 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.257 -0.646 . . . . 74.34 109.257 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.33 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 73.15 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.03 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.23 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG22 ' HE2' ' A' ' 13' ' ' LYS . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 71.52 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.2 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.761 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 54.51 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE2' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 64.14 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.15 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 105' ' ' LEU . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 73.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 70.01 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 64.03 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.871 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.12 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.2 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.24 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' HG21 ' A' ' 34' ' ' THR . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 73.32 109.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 72.12 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.13 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 71.44 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 65.23 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.12 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.41 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 71.21 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.13 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.13 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 62.23 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 42.32 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 72.35 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 73.23 110.393 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 52.12 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.893 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 71.11 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.5 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.33 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.13 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 63.24 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.15 109.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 63.32 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 60.43 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.14 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 72.42 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.11 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.1 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.13 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.21 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 70.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 62.41 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.24 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 71.54 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 63' ' ' ILE . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.41 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.13 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' OE1' ' A' ' 67' ' ' GLU . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.2 109.317 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.22 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.04 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.12 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 44.54 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.71 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 50.43 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 70.02 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.975 ' O ' HD13 ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 52.15 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.11 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.43 110.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.11 111.038 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.975 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.33 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 51.3 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HD21 ' A' ' 105' ' ' LEU . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.31 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.24 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.41 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.691 ' O ' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 72.33 110.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.311 -0.625 . . . . 70.43 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.971 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.32 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.42 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 61.53 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 92' ' ' PHE . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.44 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' HD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.01 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.922 ' CG ' HG21 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.53 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.24 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.33 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.45 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.52 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 61.1 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.971 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.31 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 73.14 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 54.41 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.45 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 11' ' ' GLU . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.41 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 70.1 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.44 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.901 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.44 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.468 ' O ' HD12 ' A' ' 109' ' ' LEU . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 71.4 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.34 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.922 HG21 ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.22 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.871 ' CD1' HD23 ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.54 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.34 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.21 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 HD22 ' A' ' 39' ' ' LEU . 3.0 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.33 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 69' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.15 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 54.32 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.01 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 64.44 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.3 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.24 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.41 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 1.001 ' CD1' ' HB2' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.55 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.55 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 64.43 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 53.02 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 53.43 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.13 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.069 HD23 HD13 ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.41 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' HA ' HG21 ' A' ' 35' ' ' VAL . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.23 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.2 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 72.15 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.24 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.11 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 50.15 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 73.41 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.13 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 63.11 109.276 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.43 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.555 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.41 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.04 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.4 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 71.31 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.2 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 62.22 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 55.45 109.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' HE2' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.55 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 53.53 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.23 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.21 109.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 52.02 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 63.31 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.54 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.42 110.997 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.726 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 62.33 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.33 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.42 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 53.03 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.51 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.21 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 51' ' ' LEU . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.43 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.573 ' HE1' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 71.34 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.42 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.34 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.114 HG22 HD12 ' A' ' 63' ' ' ILE . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 60.24 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.42 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.21 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 42.33 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 62.14 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.54 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 51.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.52 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.114 HD12 HG22 ' A' ' 55' ' ' ILE . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 43.44 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.44 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.794 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.32 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.34 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 70.51 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.33 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 72.32 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 61.42 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.778 HD22 HH21 ' A' ' 74' ' ' ARG . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 41.34 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.23 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ALA . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.02 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.778 HH21 HD22 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.34 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 99' ' ' LEU . 32.6 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.13 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.255 -0.646 . . . . 63.34 109.255 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.22 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.32 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.42 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 71.32 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG13 ' HD1' ' A' ' 92' ' ' PHE . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HD2' HG11 ' A' ' 108' ' ' VAL . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 64.13 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 100' ' ' ILE . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.35 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.15 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 53.01 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.34 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.43 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 75' ' ' GLN . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.34 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.563 HG22 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.11 109.342 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.34 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.001 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.1 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.33 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 108' ' ' VAL . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 44.3 110.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.2 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 109' ' ' LEU . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 65.24 109.287 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.4 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HD2' ' A' ' 92' ' ' PHE . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.53 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.069 HD13 HD23 ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.55 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.68 ' O ' HD12 ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.54 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 45.22 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 110' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.33 109.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.759 HD22 ' CE2' ' A' ' 12' ' ' PHE . 15.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 64.15 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.32 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.44 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.51 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 55.23 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.1 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.31 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.21 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 63.44 109.264 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' PHE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.2 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.05 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.967 HD23 HD13 ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.03 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 35' ' ' VAL . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.45 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.3 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.526 ' OD1' ' ND2' ' A' ' 24' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.54 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.6 p-10 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.45 109.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.827 HD21 ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.22 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.32 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.42 109.985 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.33 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.54 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.32 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.35 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 61.02 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 65.12 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.4 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 19' ' ' PHE . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.04 109.265 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 1.038 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.11 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.22 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.32 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.038 HD12 ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 60.23 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.31 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 55.32 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.2 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.53 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.736 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 61.22 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.03 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.21 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.55 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.15 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.23 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 63.15 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.13 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 54.11 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.1 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.22 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 63' ' ' ILE . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 61.3 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.24 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.22 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.51 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 62.52 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 53.22 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD12 HG22 ' A' ' 55' ' ' ILE . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 64.14 109.334 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.32 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.744 ' O ' HD13 ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 34.3 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 61.5 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 40.41 110.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.24 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 65' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 64.11 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 60.43 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 55' ' ' ILE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.13 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.24 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.03 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 85' ' ' LEU . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.34 110.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.581 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.6 pm0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.23 110.307 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 72.54 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.44 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.24 110.296 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 51.22 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.14 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.05 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.1 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.816 ' CG ' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 72.21 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 71.11 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 61.23 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.21 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 61.54 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.778 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.01 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD13 ' CG ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 ' OE1' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 70.14 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.44 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.24 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.01 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.827 ' OE1' HG22 ' A' ' 100' ' ' ILE . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.34 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.14 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.42 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.4 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 105' ' ' LEU . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.34 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.967 HD13 HD23 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.13 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.41 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 63.21 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 109.244 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 18.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 70.11 109.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.42 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.03 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.23 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 44.53 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.13 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 62.13 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.14 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.952 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.12 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 41.33 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.25 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.11 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.12 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.901 HD23 ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.15 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.52 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.13 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.24 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 61.31 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 62.3 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 72.42 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 53.4 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 55.4 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.41 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.4 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.518 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 64.02 110.031 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.53 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.53 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.4 109.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 54.04 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.12 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.788 ' SD ' HD21 ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.34 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.14 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.32 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CE ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.12 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.01 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.788 HD21 ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 72.22 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.3 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 1.037 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 62.42 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 63.15 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.45 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.12 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.41 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.23 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.2 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.477 ' HE1' HG12 ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.41 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.44 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.4 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.917 HG22 HD12 ' A' ' 63' ' ' ILE . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.44 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.23 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 51.3 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.54 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.54 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.34 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.34 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.51 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 71.34 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.41 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.22 110.987 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.42 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.21 110.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.44 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 64.21 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 51.22 109.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.53 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.35 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.13 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.881 ' NH1' HD12 ' A' ' 85' ' ' LEU . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 65.31 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.62 HE21 ' HG ' ' A' ' 99' ' ' LEU . 5.4 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 61.45 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD12 ' NH1' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 73.54 109.341 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.43 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 51.22 110.309 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.53 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 55.24 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 65.41 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 62.22 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.911 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.34 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 65.43 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.04 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.41 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.41 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.53 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.14 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 100' ' ' ILE . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.806 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 42.53 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.11 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.952 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.44 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.33 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 73.15 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.566 ' HE2' HD21 ' A' ' 18' ' ' LEU . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 60.13 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.35 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.911 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 45.43 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.901 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 61.24 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 53.32 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 53.2 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 64.32 109.267 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 59.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 75.53 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.2 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.42 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 74.24 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 65.14 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.954 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 62.01 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.15 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.869 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.04 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 71.35 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.954 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.05 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.2 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.45 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 70.43 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.004 HD23 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.51 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.65 ' HA ' HG21 ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 54.32 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.22 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 71.3 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.02 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.03 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.03 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 61.35 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.03 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.24 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 45.24 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 62.33 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.11 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.53 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 24.03 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 61.1 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 64.44 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.901 ' CE ' HD12 ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 44.41 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 71.54 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.31 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.901 HD12 ' CE ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.02 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 52.44 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.625 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 61.25 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.24 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.521 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 62.51 110.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.42 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 43.33 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.55 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.13 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.23 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.33 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.586 ' HE1' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.55 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.53 110.237 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.4 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.22 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 ' OE2' ' A' ' 67' ' ' GLU . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 52.5 109.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.25 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 44.03 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 73.13 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.12 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 81.2 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.55 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 55' ' ' ILE . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 51.51 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.12 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.834 ' O ' HD13 ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.12 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.14 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE2' HG23 ' A' ' 57' ' ' VAL . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.22 110.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.02 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.32 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.31 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 55' ' ' ILE . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.43 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 62.21 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.13 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.623 ' CD ' HD12 ' A' ' 85' ' ' LEU . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.53 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.744 ' NE2' HD23 ' A' ' 86' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.02 110.277 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.7 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.3 -0.629 . . . . 72.13 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.744 HD23 ' NE2' ' A' ' 75' ' ' GLN . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.2 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 65.13 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 64.43 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 70.21 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.12 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 72.14 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.846 ' CE2' HG21 ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.24 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.11 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.3 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.45 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 52.1 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.34 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.22 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 75' ' ' GLN . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 63.1 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.74 HG22 ' OE2' ' A' ' 104' ' ' GLU . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.34 109.337 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.908 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 52.21 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.15 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.74 ' OE2' HG22 ' A' ' 100' ' ' ILE . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 55.21 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 52.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 52.55 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 70.05 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.846 HG21 ' CE2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.45 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.004 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.33 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.5 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 64.52 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.42 109.274 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 69' ' ' LEU . 5.9 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.313 -0.625 . . . . 64.34 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 72.31 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.04 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.4 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 72.43 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.14 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 55.4 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.43 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.32 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.42 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.02 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.2 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 25.43 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.995 HD23 ' CD1' ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 35.53 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.24 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.32 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.43 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.32 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.4 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.35 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.13 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 61.23 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.13 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 60.01 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.12 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.23 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.24 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 63.33 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.32 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.01 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.42 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.442 ' CE ' HD21 ' A' ' 41' ' ' LEU . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.34 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 72.22 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.42 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 64.54 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.44 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.35 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.2 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.54 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.863 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.31 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 70.32 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 70.25 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.24 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 44' ' ' SER . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.42 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.52 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 64.42 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 65.22 109.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.454 ' HE3' HD11 ' A' ' 63' ' ' ILE . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 64.33 110.992 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.34 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' OE1' HD23 ' A' ' 85' ' ' LEU . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 63.25 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.762 HG21 HG23 ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.45 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.13 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 73.24 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 54.22 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.22 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.41 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 70.5 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.4 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 72.41 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.31 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.661 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.34 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.02 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 64.22 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.02 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 4' ' ' LEU . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.41 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.12 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.55 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.768 ' HG3' HD23 ' A' ' 71' ' ' LEU . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 70.43 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.54 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.731 ' HD2' HD12 ' A' ' 85' ' ' LEU . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 54.11 110.253 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 51.14 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.968 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.271 -0.64 . . . . 65.54 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 73.35 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.3 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 62.43 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.11 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.02 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG13 ' HD1' ' A' ' 92' ' ' PHE . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 73.44 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.22 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HG23 ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.13 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 62.23 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.21 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.55 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 62.23 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.31 111.065 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' A' ' 75' ' ' GLN . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 62.12 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.45 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 61.54 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.22 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.53 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 64.44 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 18' ' ' LEU . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.35 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 70.11 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.679 HG21 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.03 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.995 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.03 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 60.12 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.34 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 109' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.13 109.303 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.472 HD23 ' OE1' ' A' ' 8' ' ' GLN . 6.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.639 . . . . 74.34 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 34.53 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.972 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.11 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 72.44 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' OE1' HD23 ' A' ' 4' ' ' LEU . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 64.21 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 70.32 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 53.11 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 52.13 110.296 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.933 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.15 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.51 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.03 110.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 54.21 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 64.22 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.41 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 70.24 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD2' HG11 ' A' ' 35' ' ' VAL . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.24 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.11 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HZ1' ' HB ' ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.11 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 61.12 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.33 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 72.25 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 13.54 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.35 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 72.43 109.343 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.21 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.444 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 44.33 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.1 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 52.52 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD22 ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.41 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 61.42 109.259 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.751 ' HB ' ' HZ1' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.44 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 19' ' ' PHE . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.05 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.729 ' CE ' HD21 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.33 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.44 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 36' ' ' MET . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.14 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 72.52 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 62.1 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.55 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 74.54 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 62.23 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.02 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.34 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 44' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.25 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 62.32 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 65.4 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.34 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.622 ' SD ' HD22 ' A' ' 32' ' ' LEU . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.31 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 63.55 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.796 HG22 HD12 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.43 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 51.22 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' OE1' ' A' ' 67' ' ' GLU . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.33 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.31 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.43 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 31.21 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.5 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.51 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 55' ' ' ILE . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.45 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.2 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' O ' HD13 ' A' ' 69' ' ' LEU . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.21 110.975 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.14 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.43 110.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.04 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 73.15 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 52.41 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 55.21 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 1.041 ' N ' HD13 ' A' ' 71' ' ' LEU . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 63.13 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.01 110.018 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.01 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.1 mp0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.41 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 85' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.272 -0.64 . . . . 63.53 109.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.3 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 61.41 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.03 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.798 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.23 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HZ2' ' HA2' ' A' ' 98' ' ' GLY . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.43 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.891 HG13 ' CD1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.891 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.42 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.34 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 64.22 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.53 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 43.44 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' HA2' ' HZ2' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.53 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 70.32 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.22 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 61.32 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.933 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 71.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 70.42 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.42 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.818 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.33 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 72.23 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.32 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 105' ' ' LEU . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.51 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.01 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 65.01 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.3 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.479 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.2 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 61.21 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 69' ' ' LEU . 14.6 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 62.33 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 71.22 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.04 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.33 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 61.52 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.4 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 54.03 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.33 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.945 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 64.44 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 62.14 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.603 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.01 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 54.12 109.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.42 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.35 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.071 HD23 ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 64.23 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.4 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.34 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 61.23 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.02 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.03 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 51.04 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.43 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 ' CE1' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.03 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 71.33 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.44 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.24 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.12 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.52 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 65.1 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.04 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.51 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.98 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.23 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.4 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 64.2 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.98 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 44.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 63.32 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.24 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 73.44 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 52.35 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.11 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.13 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.03 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.22 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.33 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.43 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.564 ' HE1' HG12 ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 71.02 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.53 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.031 HG22 HD12 ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 63.51 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.31 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.34 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.23 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 62.45 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 62.35 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 61.55 110.315 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 63.34 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.22 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.956 ' O ' HD13 ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.4 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.51 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.31 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.41 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.04 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.54 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.12 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.32 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 70' ' ' ALA . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.11 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 62.2 110.275 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.7 tm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.318 -0.623 . . . . 72.13 109.318 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.33 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.814 ' HG2' HD13 ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.23 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.41 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.31 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.52 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG13 ' HD1' ' A' ' 92' ' ' PHE . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.03 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.894 ' HB2' HG21 ' A' ' 100' ' ' ILE . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.3 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 50.45 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 63.43 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.42 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.31 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 74.02 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 62.22 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 100' ' ' ILE . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.32 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.894 HG21 ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.34 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.32 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.945 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 60.01 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.41 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 100' ' ' ILE . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 61.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.938 ' O ' HG12 ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.43 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 109' ' ' LEU . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 74.14 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.43 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 105' ' ' LEU . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 65.45 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.071 ' CD1' HD23 ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 62.15 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.23 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.42 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 60.44 109.301 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 13.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 73.23 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.11 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.42 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.32 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.52 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 52.44 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 63.24 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.846 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 74.21 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.2 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 54.31 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.21 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 32.35 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.991 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.41 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.34 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.23 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.41 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.24 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.33 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 53.25 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.54 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.44 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.21 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.3 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 62.22 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 65.13 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.25 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 72.51 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.4 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 71.24 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 74.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 70.44 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.33 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 65.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 55.12 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 74.23 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 70.04 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.24 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.45 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.34 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 53.14 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 65.54 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 44' ' ' SER . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.42 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 62.41 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 71.13 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.563 ' HE1' HG12 ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.4 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.44 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 72.22 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.998 HG22 HD12 ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.13 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.24 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 41.54 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 63.31 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 61.32 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.13 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.998 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.12 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.13 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.13 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.35 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.23 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 64.52 110.981 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 12' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.55 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.01 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 55' ' ' ILE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.14 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 44.44 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.32 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.11 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.75 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.287 -0.634 . . . . 62.01 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.31 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.03 110.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.04 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.1 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.809 ' HZ3' ' H ' ' A' ' 98' ' ' GLY . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.32 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 51.41 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 55.44 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' HB3' ' CD ' ' A' ' 90' ' ' LYS . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.31 110.022 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.43 109.299 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.1 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.21 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 62.53 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.809 ' H ' ' HZ3' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.52 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.45 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.874 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 64.45 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 42.31 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.43 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.498 ' OE2' HG22 ' A' ' 100' ' ' ILE . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.43 110.262 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.797 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 71.32 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 64.51 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 61.42 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.969 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 63.52 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.991 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 52.23 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.42 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 72.43 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.23 109.275 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 6.4 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 75.11 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.3 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.41 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 64.15 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.43 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.086 HG23 ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.13 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.03 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.34 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.963 ' CE2' ' HB2' ' A' ' 102' ' ' ALA . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.54 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 64.23 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.05 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.05 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.1 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 109' ' ' LEU . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.2 109.304 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 63.45 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.33 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.04 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.21 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.24 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 70.23 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.13 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 64.1 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.11 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.11 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 65.33 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 54.32 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.43 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.34 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.31 109.293 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.43 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.14 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.826 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 62.41 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.31 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.23 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD23 HD13 ' A' ' 112' ' ' ILE . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 62.32 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.01 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.826 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.14 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 62.42 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.51 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.34 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 53.41 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 44.5 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 73.23 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.41 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.42 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 60.21 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 63.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.498 ' HE1' HG12 ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.04 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.2 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.41 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.741 HG22 HD12 ' A' ' 63' ' ' ILE . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.44 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.24 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 64.11 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.4 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 51.32 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.53 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 62.01 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 84.0 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 72.15 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.24 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 70.04 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.086 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 61.52 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 42.4 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.24 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD1' HG21 ' A' ' 63' ' ' ILE . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.21 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 61.44 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 51.05 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.41 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.1 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.12 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.51 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.793 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 71.01 110.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.7 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 50.43 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 87' ' ' GLU . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 70.22 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' A' ' 86' ' ' LEU . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.14 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.52 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.21 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.15 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 50.05 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.978 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 63.53 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.692 ' HB2' HG23 ' A' ' 100' ' ' ILE . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 54.32 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 61.42 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 62.34 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.33 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.31 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.42 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 53.3 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 42.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.34 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.41 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.22 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 71.32 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 64.2 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.41 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.978 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.43 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.781 HD13 HD23 ' A' ' 18' ' ' LEU . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 72.44 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 71.41 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.14 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.679 HD13 HD23 ' A' ' 39' ' ' LEU . 2.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.14 109.335 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 69' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 72.02 109.326 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 61.22 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.44 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.24 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.44 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.577 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.1 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 61.2 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.31 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.75 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.1 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.54 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.34 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.23 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.23 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.761 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.45 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.23 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 54.41 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.22 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.52 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.12 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 63.21 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.11 110.003 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.3 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.43 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 64.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.21 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.41 110.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 63.42 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.4 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.804 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.21 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 31' ' ' GLU . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 63.51 109.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.79 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.21 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.1 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.55 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 35' ' ' VAL . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.55 109.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.41 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.22 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 40.02 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.14 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 63.22 109.986 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 54.11 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 55.34 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.31 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 61.41 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.33 109.334 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 50.12 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.1 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 54.34 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.44 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.745 ' CG2' HD12 ' A' ' 63' ' ' ILE . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.13 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 71.23 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.442 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.31 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.31 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.52 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.21 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.4 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.745 HD12 ' CG2' ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.2 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 70.53 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 54.13 111.029 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 34.03 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 62.42 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.44 111.058 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 HD13 ' A' ' 4' ' ' LEU . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.31 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 65.34 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 62.42 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 64.14 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.35 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.03 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.826 ' CD ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 72.24 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.1 tm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 51.43 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.826 HD23 ' CD ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.13 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.43 110.337 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.1 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 71.21 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.13 109.356 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.807 HG13 ' CD1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 43.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 108' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 63.11 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 100' ' ' ILE . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.45 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.13 109.302 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.43 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.2 110.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.33 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.44 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 50.21 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 65.13 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.31 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.21 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.42 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 50.52 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.777 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.52 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.53 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.91 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.31 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.761 ' CD1' HD23 ' A' ' 18' ' ' LEU . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 53.54 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.31 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.42 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 109' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 63.41 109.274 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 12' ' ' PHE . 6.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 74.5 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.52 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.24 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.42 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 54.42 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' CE1' ' A' ' 65' ' ' PHE . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 63.01 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 62.53 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 64.42 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.909 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 63.21 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 65.24 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 70.13 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 71.35 109.263 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' N ' ' C ' ' A' ' 14' ' ' GLU . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 63.15 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 62.12 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 14' ' ' GLU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 71.35 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.091 ' CD1' HG11 ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.11 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.23 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 73.22 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.24 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 62.51 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 53.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.43 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 64.05 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.23 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.34 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.34 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.3 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.03 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.42 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 54.03 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.091 HG11 ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.41 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.949 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 71.22 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.42 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.51 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.949 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.24 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.14 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 63.32 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.33 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.894 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 73.43 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.14 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.4 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.02 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.11 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.31 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.4 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.87 ' CE ' HD11 ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.33 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 40.32 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.869 HG22 HD12 ' A' ' 63' ' ' ILE . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 60.21 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.21 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 67' ' ' GLU . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.14 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.55 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 64.51 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.33 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 65.24 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.43 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.87 HD11 ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.24 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.21 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.775 ' CE1' HG23 ' A' ' 9' ' ' ILE . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.52 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 63.35 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 57' ' ' VAL . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 71.31 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.1 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 65' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.31 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.34 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.52 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.23 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.503 HE21 HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.02 110.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 73.4 109.308 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.44 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 70.34 110.274 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 52.12 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CD1' HD13 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.34 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.13 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 88' ' ' ALA . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.51 109.332 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.815 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.24 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.597 ' HB2' HG23 ' A' ' 100' ' ' ILE . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.12 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 62.53 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 8.2 p30 -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 62.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 64.24 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.41 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 73.13 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 73.23 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.12 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 43.12 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.909 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.23 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 108' ' ' VAL . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.32 110.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 62.44 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.971 ' HA ' HD12 ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.32 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.52 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 112' ' ' ILE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.41 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.971 HD12 ' HA ' ' A' ' 106' ' ' LYS . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.24 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 60.21 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.04 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD22 ' HE2' ' A' ' 12' ' ' PHE . 8.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 70.4 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 64.13 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.55 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 64.12 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 65.3 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 62.54 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 50.21 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.13 110.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ3' ' HZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.45 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 52.42 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 64.11 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.23 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.01 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.42 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HD11 ' A' ' 109' ' ' LEU . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.43 110.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.23 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' NZ ' HG21 ' A' ' 34' ' ' THR . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 74.44 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.12 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.51 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.13 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 52.1 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 71.2 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.14 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 62.41 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 22.12 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.44 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 63.45 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.3 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.12 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 72.34 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.51 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.998 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.14 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.14 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.44 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 64.22 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 34.13 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 72.23 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.32 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.967 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.24 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.4 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 42.42 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.31 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.33 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.22 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.33 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.42 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG3' HG12 ' A' ' 48' ' ' VAL . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.33 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.03 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.33 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 63' ' ' ILE . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.03 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 65.13 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' OE1' ' A' ' 67' ' ' GLU . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.2 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.1 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.33 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.33 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.01 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.51 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.609 HG23 HG21 ' A' ' 55' ' ' ILE . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.44 109.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.51 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.787 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 63.42 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.12 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 57' ' ' VAL . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.44 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 64.32 110.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.04 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.3 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.34 109.331 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.15 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.595 ' OG ' HD11 ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 62.12 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.03 110.318 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 70.24 110.296 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HG ' HD12 ' A' ' 71' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 70.13 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 64.11 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.974 ' N ' HD13 ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.24 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.11 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 100' ' ' ILE . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.43 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' NZ ' ' HA2' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 64.34 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.694 HG13 ' CD1' ' A' ' 92' ' ' PHE . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 70.25 109.348 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.831 ' CD1' HG23 ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 71.44 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB2' HG23 ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.22 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.33 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.55 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 51.42 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.13 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 71.3 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.4 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.1 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.23 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 55.54 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.13 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 62.34 109.341 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' A' ' 18' ' ' LEU . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 71.24 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.33 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.831 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 62.14 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.41 109.301 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 61.02 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 61.44 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 72.25 109.319 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' HE2' ' A' ' 12' ' ' PHE . 6.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 61.33 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.52 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.01 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.4 110.277 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.4 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.44 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.43 109.258 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.41 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.01 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 72.32 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.673 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.01 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.23 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.1 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.45 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.13 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD21 ' A' ' 109' ' ' LEU . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 74.42 111.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.5 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 64.42 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 54.21 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.11 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.51 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 74.23 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.44 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.23 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.24 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.22 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.04 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD22 ' SD ' ' A' ' 52' ' ' MET . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.22 109.257 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.22 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.54 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 71.51 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.877 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.01 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.22 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 52.12 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.53 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' HD23 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.14 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 33.13 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.41 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.05 111.044 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.14 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.01 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.15 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 44' ' ' SER . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.13 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.32 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.41 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.15 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.667 ' SD ' HD22 ' A' ' 32' ' ' LEU . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 71.04 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.54 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 54.52 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 63.3 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 54.42 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 62.43 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 51.25 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 43.24 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 65.03 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 70.22 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.34 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD12 HG22 ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 64.14 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.15 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.711 ' O ' HD13 ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 71.32 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.22 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 55.44 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 71' ' ' LEU . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 51.45 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 70.12 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 61.02 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 71.44 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.4 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.13 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HB2' ' NE2' ' A' ' 75' ' ' GLN . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.21 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.595 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.3 mp0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.12 110.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 74.42 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.673 HD23 ' C ' ' A' ' 86' ' ' LEU . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 64.13 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.44 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.12 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.22 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 51.51 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG13 ' HD1' ' A' ' 92' ' ' PHE . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.1 109.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.772 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 70.23 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.552 ' HB2' HG23 ' A' ' 100' ' ' ILE . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.34 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.15 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 52.23 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.45 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.3 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.13 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.54 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.31 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.52 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.02 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 70.2 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.3 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 44.44 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.31 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.43 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 19' ' ' PHE . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 71.12 109.34 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 42.42 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.12 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 64.34 109.283 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.971 -0.381 . . . . 51.0 109.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -109.35 14.75 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 54.45 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -137.22 155.31 49.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.4 109.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' OE1' ' A' ' 8' ' ' GLN . 7.4 mt -78.39 126.86 31.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 53.35 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 72.33 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 65.41 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.02 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.601 ' OE1' HD23 ' A' ' 4' ' ' LEU . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.22 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.739 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.32 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.22 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.31 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CD2' HD21 ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.14 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' HD22 ' A' ' 18' ' ' LEU . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.23 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 65.13 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.14 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.01 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 70.02 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.31 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.3 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.43 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 73.41 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 61.23 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.41 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 50.54 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.33 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.11 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.33 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.31 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.53 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.24 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 33.31 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.42 109.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 53.14 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 31' ' ' GLU . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.33 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.52 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.55 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 54.32 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 54.24 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 63.22 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.14 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.52 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 62.23 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 62.42 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 63.21 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.34 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 44' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 70.21 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.31 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.55 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.24 109.335 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.604 ' HE1' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.12 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.44 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.1 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.008 HG22 HD12 ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.55 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 64.54 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.12 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.35 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.41 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.41 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 63' ' ' ILE . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.31 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HG22 ' A' ' 55' ' ' ILE . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.45 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.12 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.739 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.13 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 53.45 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.646 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 73.42 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' ILE . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.23 110.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 70.45 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.55 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.44 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HE3' ' HA ' ' A' ' 69' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 72.05 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 62.41 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.34 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 75' ' ' GLN . 2.1 mp0 -55.49 140.58 39.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.31 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 77' ' ' LYS . 1.4 tm? -174.58 150.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 65.23 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.652 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.57 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 70.31 109.291 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -79.23 147.86 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.51 109.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -90.47 85.33 6.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 53.33 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -112.12 17.83 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 53.23 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' A' ' 83' ' ' GLN . 15.6 p -163.36 148.42 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 74.14 110.0 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -47.21 116.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.11 110.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' NE2' ' OG ' ' A' ' 81' ' ' SER . 84.8 mm-40 -104.13 -11.01 17.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 72.33 110.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.5 -15.54 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.23 110.282 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.93 -29.75 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.43 109.31 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 52.01 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.897 ' OE1' HD11 ' A' ' 121' ' ' LEU . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.54 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 91' ' ' VAL . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.33 109.266 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.24 110.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.797 ' HG2' HD22 ' A' ' 121' ' ' LEU . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.15 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.44 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 108' ' ' VAL . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.12 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.646 ' HB2' HG23 ' A' ' 100' ' ' ILE . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.21 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.15 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.44 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 53.11 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.1 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 72' ' ' MET . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.43 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 92' ' ' PHE . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.11 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 52.41 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.35 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 55.42 109.26 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' OE2' HG22 ' A' ' 100' ' ' ILE . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.2 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.23 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.05 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.12 109.574 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 51.4 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.1 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.51 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.11 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.558 ' HA ' HD11 ' A' ' 116' ' ' LEU . 8.7 mt -43.87 163.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.34 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 116' ' ' LEU . . . 162.34 157.2 8.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 24.12 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.98 -38.24 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 0.729 . . . . 64.23 110.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -71.66 69.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 63.32 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 113' ' ' GLY . 6.7 mt -151.49 142.53 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.35 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' LEU . 3.0 p -156.14 159.11 38.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.31 110.413 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.403 ' OD1' HG11 ' A' ' 91' ' ' VAL . 83.9 m-20 -93.65 11.25 29.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 72.43 109.299 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.25 15.17 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 35.14 109.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.2 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.52 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.897 HD11 ' OE1' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -115.55 -38.59 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 53.44 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -38.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.3 110.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 42.3 m170 -45.1 -62.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 71.11 109.645 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -103.76 137.97 41.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 72.11 109.567 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -71.34 117.32 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.11 109.598 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -44.71 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 75.25 109.578 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -101.73 79.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 73.23 109.615 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.23 109.555 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.968 -0.382 . . . . 73.42 109.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -122.53 158.97 28.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 72.22 110.016 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.27 6.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 62.13 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD22 ' CE2' ' A' ' 12' ' ' PHE . 9.3 mt -58.14 139.01 55.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 73.55 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.01 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.43 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 61.34 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.33 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.12 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.23 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 4' ' ' LEU . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.14 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.2 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.652 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.51 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.42 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.51 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.14 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CE1' HD21 ' A' ' 109' ' ' LEU . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 72.33 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' NZ ' HG21 ' A' ' 34' ' ' THR . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.41 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 54.44 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 54.11 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 52.25 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.43 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 60.45 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.1 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.697 ' HB3' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.02 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.22 110.253 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.44 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 32.33 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 43.4 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.42 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.777 ' CE ' HD21 ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 52.14 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 64.22 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 54.13 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.13 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.3 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.1 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.12 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.03 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.883 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.34 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 72.23 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 53.53 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.01 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 44' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 71.21 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.44 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 62.13 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 62.12 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.03 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.24 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 44.3 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.714 HG22 HD12 ' A' ' 63' ' ' ILE . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 50.24 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 54.34 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 63.44 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.01 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.11 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.41 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.41 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.714 HD12 HG22 ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.24 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.03 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' O ' HD13 ' A' ' 69' ' ' LEU . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 71.53 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.02 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.53 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.22 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 65' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.12 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.2 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.41 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.42 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 73.32 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.998 ' O ' HD12 ' A' ' 99' ' ' LEU . 32.7 mt-30 64.92 24.53 12.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 44.22 110.281 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 mp -96.78 -179.48 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.44 109.264 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.01 132.88 35.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 75.25 109.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p 42.67 41.22 2.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 64.32 110.03 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -63.17 -26.08 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.24 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.43 50.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 64.13 109.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -156.38 173.83 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 63.12 109.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.25 134.54 39.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 64.52 110.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -126.13 19.87 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 72.04 110.278 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.08 -7.82 31.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.53 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.9 tm? -76.21 -43.94 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.03 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 64.33 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.518 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.21 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.44 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.12 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.762 ' HE3' HD13 ' A' ' 121' ' ' LEU . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 55.41 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 74.44 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 1.207 ' CD2' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 64.02 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.54 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.1 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.22 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.31 111.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.14 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.504 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 53.32 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 73.33 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.842 ' N ' HD23 ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 73.04 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 61.24 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.11 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.653 ' OE1' HG22 ' A' ' 100' ' ' ILE . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.43 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 64.24 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.1 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 62.53 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.207 HG21 ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 62.02 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.42 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 61.41 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.42 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.664 HG13 HD23 ' A' ' 39' ' ' LEU . 7.5 mt -42.78 163.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.14 109.337 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 156.9 -139.0 6.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 72.04 111.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.602 ' O ' HD22 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -123.62 -61.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 65.14 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -59.72 113.81 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 72.23 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 117' ' ' THR . 1.2 pt? -175.41 113.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 62.11 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.2 p -158.98 -175.35 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.3 110.43 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.74 -8.44 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.15 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.16 5.32 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 34.32 109.291 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -39.32 -58.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 75.21 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.762 HD13 ' HE3' ' A' ' 90' ' ' LYS . 1.4 pt? -115.53 -38.75 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.02 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -56.71 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 75.41 110.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -80.14 -15.06 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 75.32 109.545 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -89.53 14.83 10.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 75.53 109.586 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -89.1 89.98 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 53.02 109.587 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -111.77 -51.71 2.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.45 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -63.39 112.98 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 63.44 109.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.5 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 61.22 109.576 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.991 -0.374 . . . . 73.31 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.1 p -87.49 -38.76 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 75.44 109.986 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 4' ' ' LEU . 28.6 t30 -64.22 160.02 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.51 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mt -92.35 135.52 33.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 70.1 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 73.41 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.03 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.14 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG23 ' CE1' ' A' ' 65' ' ' PHE . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.03 109.247 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.01 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.01 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 73.14 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.1 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 64.12 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.05 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 52.24 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.724 HD23 HD13 ' A' ' 109' ' ' LEU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' HD21 ' A' ' 109' ' ' LEU . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.14 111.025 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.34 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.33 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.33 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.11 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.23 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.22 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 63.22 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 74.13 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.42 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.04 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.31 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.34 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.22 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.21 109.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 60.23 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.936 ' SD ' HD21 ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.55 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 73.42 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.02 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 36' ' ' MET . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.12 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.53 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.936 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.35 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.05 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 73.43 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.34 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 44.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.3 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 44' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 54.3 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.43 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.14 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.33 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.641 ' HE1' HG12 ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 72.14 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.44 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.53 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.045 HG22 HD12 ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.11 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 52.13 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.23 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 50.34 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 43.24 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.4 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.552 ' C ' HD13 ' A' ' 63' ' ' ILE . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.32 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.045 HD12 HG22 ' A' ' 55' ' ' ILE . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.34 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.33 111.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.21 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.45 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.55 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD21 ' HD2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.21 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 61.31 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.23 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.41 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.11 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.43 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.709 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.55 152.04 49.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 110.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' LEU . 1.2 tm? 56.29 51.45 11.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 71.43 109.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' ASP . 13.8 mmmt -135.52 98.95 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.43 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.42 36.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 74.52 110.033 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 18.4 t30 64.34 53.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.4 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' LYS . 10.9 t0 -44.22 137.47 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 75.24 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -57.84 -46.03 85.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.34 109.998 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -80.81 109.81 15.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 71.05 110.334 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -124.36 7.17 8.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 75.2 110.335 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -75.83 -35.16 60.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 73.41 110.317 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.5 tm? -88.1 9.37 22.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.53 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.54 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.613 ' HB3' HD21 ' A' ' 121' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.33 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 44.31 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 61.12 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 121' ' ' LEU . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.04 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.44 109.319 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 71.22 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 62.44 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 70.35 109.278 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.1 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 52.44 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.43 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 15.24 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.44 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' OE1' ' A' ' 104' ' ' GLU . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.35 109.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 51.12 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.91 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.42 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.04 109.267 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' OE1' HG22 ' A' ' 100' ' ' ILE . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 64.21 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.12 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.04 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.54 109.621 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.02 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.724 HD13 HD23 ' A' ' 18' ' ' LEU . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 44.42 109.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.42 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 52.25 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.567 HD13 HD23 ' A' ' 39' ' ' LEU . 4.6 mm 65.35 10.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 63.44 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -41.48 115.69 0.82 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 62.43 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -36.91 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 74.11 110.292 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -134.25 139.68 45.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 63.1 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.644 ' HB2' HG23 ' A' ' 91' ' ' VAL . 5.2 mt -145.19 128.94 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.4 109.268 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.5 p -110.29 -173.91 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 62.53 110.38 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -22.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.13 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.08 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 51.42 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.71 -46.89 77.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 73.33 110.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.721 ' H ' HD23 ' A' ' 121' ' ' LEU . 2.0 pt? -108.66 -45.51 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.45 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' CG ' ' CD ' ' A' ' 87' ' ' GLU . 70.4 mt-10 -38.9 110.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 74.03 110.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -123.86 -43.29 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 73.15 109.56 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -115.35 -173.48 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 75.13 109.581 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -105.09 -72.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 73.13 109.57 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -40.04 124.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 72.31 109.624 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.21 -31.64 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.34 109.627 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.11 109.596 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.971 -0.381 . . . . 63.13 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -99.85 -28.8 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 53.45 110.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.32 124.77 44.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 75.32 109.291 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 73' ' ' SER . 6.6 mp -49.15 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 72.23 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.1 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 53.43 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.1 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 70.13 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.702 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.45 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 55.44 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.33 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 62.24 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.45 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.559 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.13 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 64.54 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.13 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 70.42 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.591 HD23 HD13 ' A' ' 109' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 64.43 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.12 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 52.21 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.23 109.306 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 55.12 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.41 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 73.21 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.14 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 54.2 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.439 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.13 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 50.5 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 71.52 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 52.45 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.22 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD12 ' SD ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 51.42 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 53.04 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 70.35 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.52 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 62.01 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.14 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.41 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 35' ' ' VAL . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.41 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.34 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD12 ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 62.45 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 50.11 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.24 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 64.44 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 51.25 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 63.22 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.346 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.78 ' SD ' HD12 ' A' ' 32' ' ' LEU . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.3 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.32 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.958 HG12 HD22 ' A' ' 71' ' ' LEU . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.21 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 61.51 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.1 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.01 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.11 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.33 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.516 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.21 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 55' ' ' ILE . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.11 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.24 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.54 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.51 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.44 110.246 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HA ' HD21 ' A' ' 71' ' ' LEU . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 73.13 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 72.23 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.23 109.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.958 HD22 HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.24 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 54.31 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 4' ' ' LEU . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.24 109.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 63.23 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.2 mp0 -64.36 -53.24 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.14 110.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 76.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.33 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -171.55 121.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 53.34 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -90.74 88.69 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 71.12 109.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.28 139.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.99 97.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.44 109.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -145.13 -176.9 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.23 109.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 13.0 tt0 -58.37 121.79 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 65.05 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -129.01 13.9 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 70.12 110.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.11 -9.34 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.54 110.29 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -72.9 -53.7 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 71.14 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 87' ' ' GLU . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 54.44 109.275 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.975 ' HA ' HD21 ' A' ' 121' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.43 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.35 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.4 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.865 ' HG2' HD22 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 61.24 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 41.12 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.849 ' HB3' HG11 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 71.53 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.51 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.41 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 74.3 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.13 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.33 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 54.35 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 61.41 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 92' ' ' PHE . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.21 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.44 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 63.11 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.43 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 1.036 ' O ' HG13 ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.4 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.02 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 109' ' ' LEU . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 65.22 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.036 HG13 ' O ' ' A' ' 104' ' ' GLU . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 61.03 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.13 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.33 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp -40.05 146.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 61.34 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.87 -143.47 3.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 25.23 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -86.65 176.1 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 54.43 110.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.47 117.42 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 75.34 109.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.756 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -111.74 153.04 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 73.24 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -101.47 -174.14 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.31 110.428 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.87 3.31 47.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 65.53 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 123' ' ' HIS . . . -90.66 15.55 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.54 109.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -53.53 -61.0 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.13 110.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -104.76 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 62.53 109.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.51 -25.21 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 71.02 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 20.9 m-70 -146.77 154.57 41.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 64.31 109.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -76.72 -14.54 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 70.41 109.604 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -64.48 124.13 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 62.34 109.612 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -126.92 105.16 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.33 109.56 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.35 97.83 10.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.24 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.13 109.583 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.995 -0.372 . . . . 75.23 109.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -95.47 60.19 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 71.21 110.045 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -92.01 112.81 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 62.34 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 12' ' ' PHE . 12.1 mt -96.08 128.61 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 74.23 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.586 ' C ' HD12 ' A' ' 9' ' ' ILE . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.02 110.405 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.4 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 73.03 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.53 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.763 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.21 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.54 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 70.42 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.867 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.13 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.763 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 51.14 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 63.04 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.21 109.338 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.21 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.01 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.993 HD23 ' CD1' ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.41 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 72.34 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.21 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.744 ' NZ ' HG22 ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.42 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 52.33 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.35 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 63.12 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 43.15 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.21 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.11 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.15 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.01 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.44 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 55.54 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.744 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.3 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 54.44 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.816 ' CE ' HD21 ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.41 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.44 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 51.44 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.11 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.12 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.23 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.43 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.52 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.33 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 54.43 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 30.33 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.34 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 44' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 70.32 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.24 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.43 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.1 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.452 ' HE3' HD11 ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 45.31 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 72.13 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.23 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.764 HG22 HD12 ' A' ' 63' ' ' ILE . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.01 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 72.5 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.23 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.23 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.54 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.14 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.11 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.42 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.764 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.43 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.44 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.652 ' O ' HD13 ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.2 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.43 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.43 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.44 111.004 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 61.11 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.05 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.771 ' CD2' HH21 ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.13 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.859 ' SD ' HD13 ' A' ' 105' ' ' LEU . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 72.4 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.771 HH21 ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 62.44 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.72 ' HG2' HD12 ' A' ' 99' ' ' LEU . 19.1 mp0 -38.97 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.3 110.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' ARG . 17.9 mt -60.96 -176.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 75.34 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -76.46 -34.91 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 64.22 109.333 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -50.15 133.05 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 41.52 110.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 49.23 26.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.23 109.35 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.758 ' O ' HD13 ' A' ' 99' ' ' LEU . 9.3 t0 41.51 36.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 71.44 109.279 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 99' ' ' LEU . 92.3 p 179.55 168.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 65.14 109.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 86' ' ' LEU . 1.5 tt0 -78.04 171.82 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 72.31 110.317 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 12.0 mm100 -124.2 -41.05 2.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 64.55 110.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 -48.41 7.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 64.31 110.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -95.13 18.96 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 65.42 109.287 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.23 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.987 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.13 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.51 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 63.54 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.758 ' HG3' HD22 ' A' ' 121' ' ' LEU . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 70.44 109.304 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 116' ' ' LEU . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.44 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.934 ' HB2' HG21 ' A' ' 100' ' ' ILE . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.34 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HB2' HG23 ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 54.24 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.23 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.13 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 33.24 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.31 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.32 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 80' ' ' ASP . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.22 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.934 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.43 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 41.44 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.867 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 61.21 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.12 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.21 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.865 ' O ' HG22 ' A' ' 108' ' ' VAL . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.02 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HE3' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.34 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.33 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 105' ' ' LEU . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.42 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.993 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 60.52 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.44 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.24 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 109' ' ' LEU . 3.4 mm 59.53 15.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 55.02 109.36 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ILE . . . -34.59 118.46 0.27 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 71.24 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' LEU . 47.6 mt-10 -89.81 -176.71 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 75.51 110.288 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' 117' ' ' THR . 0.0 OUTLIER 45.19 26.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.5 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -53.27 120.16 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 73.42 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 115' ' ' LYS . 7.8 p -124.51 -169.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.13 110.423 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -109.54 -22.98 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 74.21 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -77.95 -0.01 25.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 62.42 109.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 12.4 mt-10 -38.37 -58.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 72.44 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.98 HD11 HD11 ' A' ' 86' ' ' LEU . 2.6 pt? -115.67 -47.05 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 63.13 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 1.5 mm-40 -40.96 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 50.31 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -136.92 82.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 53.21 109.593 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' HIS . 11.0 t60 -39.99 121.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.22 109.616 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -128.64 12.87 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 71.23 109.578 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.8 m80 70.48 52.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 74.14 109.621 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -51.4 23.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 74.51 109.602 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 74.2 109.616 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 71.02 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.24 71.52 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.34 109.998 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -150.66 154.32 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.44 109.259 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 12' ' ' PHE . 40.1 mt -86.98 138.56 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 75.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 64.41 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.45 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.32 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 54.24 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 70.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 23.01 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.45 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.12 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 63.41 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.54 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.11 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.31 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.4 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 35' ' ' VAL . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.24 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 60.13 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' CE ' HG21 ' A' ' 34' ' ' THR . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.44 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.33 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 55.12 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.34 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.42 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 74.34 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 HD23 ' A' ' 32' ' ' LEU . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.42 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.41 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.42 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 44.11 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.41 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.598 HG21 ' CE ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.11 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 51.23 109.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.11 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 54.35 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.23 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 52.21 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.21 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 74.42 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.23 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.41 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.43 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 51.4 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 61.23 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 44' ' ' SER . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.44 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 72.41 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.1 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.41 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.606 ' HE1' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.41 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 64.23 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.33 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.968 HG22 HD12 ' A' ' 63' ' ' ILE . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 73.51 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 74.13 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' OE1' ' A' ' 67' ' ' GLU . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 71.45 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 70.14 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.4 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.575 ' C ' HD13 ' A' ' 63' ' ' ILE . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.44 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.968 HD12 HG22 ' A' ' 55' ' ' ILE . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.15 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 71.4 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.83 ' O ' HD13 ' A' ' 69' ' ' LEU . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.42 111.039 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.41 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HA ' HD23 ' A' ' 71' ' ' LEU . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 70.34 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.3 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.03 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 54.53 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.33 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.1 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.786 HH22 HD11 ' A' ' 100' ' ' ILE . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.654 ' CG ' HD12 ' A' ' 99' ' ' LEU . 19.2 mp0 -59.65 126.67 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 70.24 110.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 76' ' ' LEU . 9.9 mt -159.53 176.39 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 75.14 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -72.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 73.03 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -68.0 177.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 61.35 110.019 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.31 60.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 62.34 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -45.9 -41.67 11.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 70.33 109.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t -50.85 -48.48 60.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 53.34 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -34.54 73.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 54.04 110.244 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.477 ' HA ' HD11 ' A' ' 86' ' ' LEU . 4.8 mt-30 -68.36 -7.53 32.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 63.24 110.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.98 -7.57 39.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 61.53 110.322 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.777 HD12 ' NE ' ' A' ' 74' ' ' ARG . 2.8 tm? -72.32 -49.3 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.33 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.584 ' HA ' HH21 ' A' ' 74' ' ' ARG . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.24 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 121' ' ' LEU . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.3 110.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 64.14 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' CE2' HD13 ' A' ' 71' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.43 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.826 ' HD3' HD13 ' A' ' 121' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.51 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG12 HD13 ' A' ' 116' ' ' LEU . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.14 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.993 ' HB2' HG21 ' A' ' 100' ' ' ILE . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 53.12 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 51.41 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 60.34 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.23 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 61.12 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.43 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' CG ' ' A' ' 75' ' ' GLN . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 51.02 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.993 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.42 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.13 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 63.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 53.23 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.52 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.14 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 65.41 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.92 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 53.32 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.859 ' HA ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 61.42 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 74.42 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.701 HD13 HD23 ' A' ' 39' ' ' LEU . 7.3 mm 69.92 7.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.24 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.88 126.93 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 51.13 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -105.76 -65.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 74.42 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -40.55 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.22 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.673 HD13 HG12 ' A' ' 91' ' ' VAL . 2.9 pp -173.2 152.1 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 71.23 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.487 ' OG1' ' CG ' ' A' ' 120' ' ' GLU . 35.2 p -136.29 -165.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 74.22 110.398 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.98 -32.56 15.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 60.33 109.277 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.94 22.99 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 71.13 109.259 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' CG ' ' OG1' ' A' ' 117' ' ' THR . 7.1 mm-40 -102.9 4.01 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.31 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.826 HD13 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -102.55 -53.86 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 74.15 109.294 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 124' ' ' HIS . 37.1 mt-10 -57.49 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 61.31 110.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 45.33 26.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 72.51 109.595 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 122' ' ' GLU . 14.0 t-80 -168.16 -175.71 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 71.34 109.556 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -127.44 159.34 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 62.35 109.568 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 128' ' ' HIS . 99.6 m-70 -113.1 -43.51 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.4 109.594 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -67.02 74.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 50.32 109.599 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 126' ' ' HIS . 20.7 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 61.45 109.54 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.024 -0.362 . . . . 72.22 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -148.91 171.67 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 65.24 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -95.54 177.41 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 72.21 109.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 36.8 mt -76.96 125.46 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 74.34 109.257 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.33 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 73.15 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.03 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.23 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG22 ' HE2' ' A' ' 13' ' ' LYS . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 71.52 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.2 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.761 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 54.51 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE2' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 64.14 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.15 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 105' ' ' LEU . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 73.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 70.01 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 64.03 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.871 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.12 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.2 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.24 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' HG21 ' A' ' 34' ' ' THR . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 73.32 109.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 72.12 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.13 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 71.44 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 65.23 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.12 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.41 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 71.21 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.13 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.13 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 62.23 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 42.32 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 72.35 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 73.23 110.393 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 52.12 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.893 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 71.11 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.5 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.33 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.13 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 63.24 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.15 109.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 63.32 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 60.43 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.14 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 72.42 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.11 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.1 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.13 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.21 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 70.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 62.41 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.24 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 71.54 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 63' ' ' ILE . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.41 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.13 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' OE1' ' A' ' 67' ' ' GLU . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.2 109.317 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.22 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.04 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.12 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 44.54 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.71 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 50.43 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 70.02 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.975 ' O ' HD13 ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 52.15 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.11 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.43 110.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.11 111.038 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.975 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.33 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 51.3 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HD21 ' A' ' 105' ' ' LEU . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.31 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.24 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.41 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.691 ' O ' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -162.62 139.66 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 72.33 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 mt -126.71 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 65.54 109.292 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -57.33 -18.18 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 74.14 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t 68.19 37.63 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 51.41 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' CG ' ' A' ' 77' ' ' LYS . 32.8 m120 -129.1 54.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 55.22 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -106.75 166.39 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.44 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -80.65 -23.16 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 70.23 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 84' ' ' GLU . 7.9 tp10 -67.4 -72.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 75.53 110.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 40.91 28.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.53 110.268 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 82' ' ' GLU . 37.5 tt0 -98.22 -38.21 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.12 110.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? -91.31 -46.4 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 70.43 109.311 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.971 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.32 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 121' ' ' LEU . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.42 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 61.53 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.998 ' HD3' HD22 ' A' ' 121' ' ' LEU . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.44 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.01 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.922 ' CG ' HG21 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.53 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.24 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.33 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.45 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.52 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 61.1 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.971 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.31 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 73.14 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 54.41 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.45 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 11' ' ' GLU . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.41 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 70.1 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.44 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.901 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.44 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.468 ' O ' HD12 ' A' ' 109' ' ' LEU . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 71.4 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.34 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.922 HG21 ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.22 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.871 ' CD1' HD23 ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.54 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.34 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.21 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 HD22 ' A' ' 39' ' ' LEU . 3.0 mm -44.22 166.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.33 109.298 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' N ' HG22 ' A' ' 112' ' ' ILE . . . 172.85 -173.36 45.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 74.31 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.27 -72.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 62.44 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -66.48 104.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.42 109.304 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 91' ' ' VAL . 5.8 mt -151.63 128.61 11.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 72.22 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -146.78 168.71 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.23 110.392 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.43 -15.09 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.12 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 122' ' ' GLU . . . -84.91 7.6 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 51.12 109.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -40.5 -46.11 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 63.14 110.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.998 HD22 ' HD3' ' A' ' 90' ' ' LYS . 1.1 pt? -101.31 -29.41 12.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 70.22 109.291 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 6.0 mm-40 -87.7 83.53 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.13 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -65.43 -17.03 64.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 60.22 109.621 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -71.78 143.72 49.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.12 109.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -88.47 120.83 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.43 109.62 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -140.84 117.24 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 73.14 109.624 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -56.67 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.11 109.605 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 73.24 109.586 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 73.3 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -116.59 7.61 13.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 62.41 109.952 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.53 130.6 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.34 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 69' ' ' LEU . 7.7 mt -62.97 130.89 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.41 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.15 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 54.32 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.01 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 64.44 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.3 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.24 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.41 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 1.001 ' CD1' ' HB2' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.55 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.55 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 64.43 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 53.02 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 53.43 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.13 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.069 HD23 HD13 ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.41 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' HA ' HG21 ' A' ' 35' ' ' VAL . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.23 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.2 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 72.15 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.24 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.11 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 50.15 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 73.41 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.13 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 63.11 109.276 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.43 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.555 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.41 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.04 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.4 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 71.31 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.2 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 62.22 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 55.45 109.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' HE2' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.55 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 53.53 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.23 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.21 109.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 52.02 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 63.31 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.54 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.42 110.997 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.726 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 62.33 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.33 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.42 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 53.03 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.51 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.21 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 51' ' ' LEU . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.43 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.573 ' HE1' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 71.34 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.42 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.34 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.114 HG22 HD12 ' A' ' 63' ' ' ILE . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 60.24 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.42 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.21 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 42.33 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 62.14 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.54 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 51.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.52 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.114 HD12 HG22 ' A' ' 55' ' ' ILE . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 43.44 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.44 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.794 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.32 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.34 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 70.51 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.33 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 72.32 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 61.42 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.778 HD22 HH21 ' A' ' 74' ' ' ARG . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 41.34 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.23 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.783 ' O ' HD23 ' A' ' 76' ' ' LEU . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.02 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.778 HH21 HD22 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.34 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 99' ' ' LEU . 32.6 tt0 -97.76 15.26 24.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.13 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 73' ' ' SER . 0.5 OUTLIER -55.01 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 73.13 109.316 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.79 9.07 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 64.03 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 7.5 t -100.66 161.61 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 65.33 110.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -48.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 74.13 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 t0 -124.53 179.53 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 73.34 109.33 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -81.17 -77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 50.33 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.57 108.77 15.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 74.12 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -128.29 3.57 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.53 110.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.7 -23.0 58.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.4 110.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -89.64 15.57 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 63.34 109.255 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.778 ' HG3' HD11 ' A' ' 121' ' ' LEU . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.22 110.342 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.32 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.42 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.754 ' HD3' HD13 ' A' ' 121' ' ' LEU . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 71.32 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.63 HG11 ' H ' ' A' ' 115' ' ' LYS . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HD2' HG11 ' A' ' 108' ' ' VAL . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 64.13 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 100' ' ' ILE . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.35 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.15 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 53.01 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.34 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.43 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 75' ' ' GLN . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.34 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.563 HG22 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.11 109.342 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.34 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.001 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.1 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.33 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 108' ' ' VAL . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 44.3 110.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.2 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 109' ' ' LEU . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 65.24 109.287 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.4 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HD2' ' A' ' 92' ' ' PHE . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.53 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.069 HD13 HD23 ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.55 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.68 ' O ' HD12 ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.54 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 45.22 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 110' ' ' THR . 2.2 mt 72.64 4.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.33 109.286 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 116' ' ' LEU . . . -116.03 52.28 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 71.44 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 10.8 mp0 -99.81 178.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.31 110.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' H ' HG11 ' A' ' 91' ' ' VAL . 8.7 ptmm? 39.74 60.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 74.4 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.741 HD12 HG23 ' A' ' 117' ' ' THR . 2.3 pp -115.28 -10.61 12.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 72.11 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 116' ' ' LEU . 1.5 p -161.04 147.08 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 74.12 110.351 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.32 -44.58 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 64.41 109.301 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -74.97 -3.12 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 50.53 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ALA . 37.1 tp10 -38.03 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.33 110.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.778 HD11 ' HG3' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -115.57 -37.69 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.52 109.304 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.423 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 2.1 tt0 -64.32 113.17 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 74.2 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -110.71 -174.73 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 63.42 109.569 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 71.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.43 109.637 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -171.95 135.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 75.51 109.584 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -144.09 -175.59 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 64.31 109.646 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -57.92 -74.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.54 109.57 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 73.53 109.622 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.999 -0.371 . . . . 64.02 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -144.18 163.5 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.13 109.981 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -57.06 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 61.33 109.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.759 HD22 ' CE2' ' A' ' 12' ' ' PHE . 15.5 mt -86.81 124.61 33.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 64.15 109.315 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.32 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.44 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.51 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 55.23 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.1 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.31 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.21 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 63.44 109.264 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' PHE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.2 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.05 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.967 HD23 HD13 ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.03 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 35' ' ' VAL . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.45 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.3 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.526 ' OD1' ' ND2' ' A' ' 24' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.54 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.6 p-10 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.45 109.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.827 HD21 ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.22 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.32 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.42 109.985 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.33 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.54 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.32 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.35 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 61.02 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 65.12 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.4 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 19' ' ' PHE . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.04 109.265 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 1.038 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.11 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.22 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.32 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.038 HD12 ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 60.23 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.31 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 55.32 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.2 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.53 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.736 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 61.22 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.03 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.21 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.55 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.15 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.23 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 63.15 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.13 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 54.11 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.1 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.22 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 63' ' ' ILE . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 61.3 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.24 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.22 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.51 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 62.52 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 53.22 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD12 HG22 ' A' ' 55' ' ' ILE . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 64.14 109.334 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.32 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.744 ' O ' HD13 ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 34.3 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 61.5 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 40.41 110.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.24 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 65' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 64.11 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 60.43 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 55' ' ' ILE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.13 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.24 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.03 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 85' ' ' LEU . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.34 110.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.581 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.6 pm0 -143.15 123.64 13.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.23 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.2 tp -109.48 -57.99 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 72.01 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' ASN . 38.2 ttpt -153.98 163.62 39.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 71.45 109.315 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 t -50.98 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.23 109.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' LYS . 26.4 m120 -141.32 -177.53 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.13 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -96.61 100.61 12.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.35 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -162.21 178.0 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 71.44 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.93 108.37 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 73.23 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 23.2 mm100 -113.24 -24.52 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 71.13 110.319 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 62.33 110.34 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? -65.47 -55.97 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 72.54 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.44 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.683 ' HA ' HD21 ' A' ' 121' ' ' LEU . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.24 110.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 51.22 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.14 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.05 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.1 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.816 ' CG ' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 72.21 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 71.11 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 61.23 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.21 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 61.54 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.778 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.01 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD13 ' CG ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 ' OE1' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 70.14 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.44 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.24 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.01 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.827 ' OE1' HG22 ' A' ' 100' ' ' ILE . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.34 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.14 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.42 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.4 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 105' ' ' LEU . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.34 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.967 HD13 HD23 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.13 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.41 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 63.21 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm 63.33 12.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 109.244 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.63 124.97 22.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 55.1 111.019 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.89 -174.75 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 73.01 110.303 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mttp 49.38 66.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 73.13 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 HG23 ' A' ' 91' ' ' VAL . 1.6 pt? -161.25 124.7 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 74.14 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.7 p -133.16 -169.86 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.13 110.424 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -75.64 -12.39 60.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.41 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.99 -6.86 42.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 71.05 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -43.62 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 71.25 110.253 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.683 HD21 ' HA ' ' A' ' 87' ' ' GLU . 1.4 pt? -112.27 -40.45 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 53.14 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 29.4 mt-10 -47.73 119.09 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.13 110.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -66.47 175.2 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 51.12 109.545 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 3.2 p-80 -63.77 -36.9 85.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 73.01 109.548 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 6.7 m80 -173.75 -179.6 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.25 109.576 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -85.21 151.81 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.44 109.613 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -135.86 141.84 44.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.3 109.611 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.04 109.619 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.969 -0.382 . . . . 62.51 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -128.07 93.86 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 62.2 109.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -48.84 161.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 75.12 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 18.5 mt -94.18 127.4 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 70.11 109.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.42 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.03 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.23 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 44.53 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.13 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 62.13 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.14 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.952 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.12 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 41.33 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.25 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.11 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.12 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.901 HD23 ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.15 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.52 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.13 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.24 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 61.31 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 62.3 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 72.42 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 53.4 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 55.4 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.41 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.4 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.518 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 64.02 110.031 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.53 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.53 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.4 109.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 54.04 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.12 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.788 ' SD ' HD21 ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.34 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.14 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.32 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CE ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.12 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.01 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.788 HD21 ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 72.22 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.3 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 1.037 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 62.42 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 63.15 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.45 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.12 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.41 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.23 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.2 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.477 ' HE1' HG12 ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.41 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.44 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.4 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.917 HG22 HD12 ' A' ' 63' ' ' ILE . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.44 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.23 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 51.3 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.54 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.54 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.34 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.34 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.51 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 71.34 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.41 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.22 110.987 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.42 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.21 110.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.44 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 64.21 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 51.22 109.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.53 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.35 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.13 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.881 ' NH1' HD12 ' A' ' 85' ' ' LEU . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 65.31 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.62 HE21 ' HG ' ' A' ' 99' ' ' LEU . 5.4 mt-30 -68.09 110.85 4.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 61.45 110.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 77' ' ' LYS . 6.1 tt -173.5 164.76 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.34 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.911 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.7 151.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 73.12 109.279 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.54 ' OG ' ' CE1' ' A' ' 127' ' ' HIS . 2.2 t -39.91 118.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -163.23 171.88 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.01 109.275 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.22 95.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 71.13 109.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 m -176.21 157.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 70.51 109.958 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.59 111.75 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.44 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.2 2.72 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.41 110.306 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.46 -27.46 46.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 75.35 110.322 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD12 ' NH1' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -78.41 -23.2 46.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 73.54 109.341 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.43 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 51.22 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.53 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 55.24 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.855 ' HG3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 65.41 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' A' ' 116' ' ' LEU . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 62.22 109.33 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.911 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.34 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 65.43 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.04 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.41 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.41 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.53 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.14 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 100' ' ' ILE . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.806 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 42.53 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.11 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.952 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.44 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.33 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 73.15 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.566 ' HE2' HD21 ' A' ' 18' ' ' LEU . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 60.13 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.35 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.911 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 45.43 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.901 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 61.24 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 53.32 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 53.2 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.33 7.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 64.32 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.39 119.57 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 75.42 110.982 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.762 ' O ' HD22 ' A' ' 116' ' ' LEU . 6.2 mt-10 -75.52 -43.98 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 43.53 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -48.4 113.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 61.13 109.269 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -169.33 118.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 65.41 109.275 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -127.31 -168.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 60.1 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -96.01 -49.68 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.24 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.45 -5.01 37.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.13 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.496 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 4.3 tp10 -39.15 -42.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 72.21 110.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.855 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -115.43 -37.92 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 70.13 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.2 95.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.23 110.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -113.3 -13.79 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 74.12 109.609 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 123' ' ' HIS . 5.9 m80 -174.45 130.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.13 109.621 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.89 122.77 16.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 64.15 109.587 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -175.27 152.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 73.35 109.579 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.54 ' CE1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -174.99 167.19 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 54.21 109.608 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 75.52 109.633 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.039 -0.356 . . . . 71.45 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -98.13 111.69 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.42 109.922 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.85 158.92 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 71.35 109.349 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 59.4 mt -83.8 134.71 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.53 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.2 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.42 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 74.24 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 65.14 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.954 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 62.01 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.15 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.869 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.04 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 71.35 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.954 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.05 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.2 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.45 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 70.43 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.004 HD23 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.51 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.65 ' HA ' HG21 ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 54.32 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.22 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 71.3 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.02 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.03 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.03 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 61.35 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.03 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.24 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 45.24 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 62.33 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.11 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.53 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 24.03 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 61.1 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 64.44 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.901 ' CE ' HD12 ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 44.41 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 71.54 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.31 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.901 HD12 ' CE ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.02 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 52.44 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.625 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 61.25 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.24 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.521 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 62.51 110.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.42 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 43.33 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.55 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.13 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.23 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.33 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.586 ' HE1' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.55 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.53 110.237 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.4 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.22 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 ' OE2' ' A' ' 67' ' ' GLU . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 52.5 109.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.25 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 44.03 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 73.13 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.12 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 81.2 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.55 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 55' ' ' ILE . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 51.51 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.12 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.834 ' O ' HD13 ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.12 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.14 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE2' HG23 ' A' ' 57' ' ' VAL . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.22 110.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.02 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.32 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.31 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 55' ' ' ILE . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.43 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 62.21 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.13 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.623 ' CD ' HD12 ' A' ' 85' ' ' LEU . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.53 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.744 ' NE2' HD23 ' A' ' 86' ' ' LEU . 2.9 mp0 -90.41 8.62 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.02 110.277 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -127.88 15.48 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 72.33 109.311 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' ASN . 16.3 ttpp -73.78 174.54 8.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 71.41 109.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -39.39 -30.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 61.23 109.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' LYS . 62.9 t-20 -88.34 112.91 23.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 64.14 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -76.82 59.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 71.43 109.284 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -176.19 175.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 74.04 109.963 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.876 ' CD ' HD12 ' A' ' 86' ' ' LEU . 4.8 tt0 -74.73 164.63 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.54 110.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -122.15 -163.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 62.45 110.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -91.98 -7.8 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 75.22 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.7 tm? -90.12 -46.22 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 72.13 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.876 HD12 ' CD ' ' A' ' 82' ' ' GLU . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.2 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 1.013 ' HA ' HD21 ' A' ' 121' ' ' LEU . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 65.13 110.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 118' ' ' ASP . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 64.43 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 70.21 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.829 ' HD3' HD22 ' A' ' 121' ' ' LEU . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.12 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.867 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 72.14 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.846 ' CE2' HG21 ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.24 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.11 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.3 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.45 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 52.1 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.34 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.22 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 75' ' ' GLN . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 63.1 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.74 HG22 ' OE2' ' A' ' 104' ' ' GLU . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.34 109.337 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.908 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 52.21 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.15 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.74 ' OE2' HG22 ' A' ' 100' ' ' ILE . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 55.21 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 52.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 52.55 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 70.05 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.846 HG21 ' CE2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.45 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.004 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.33 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.5 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 64.52 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm 70.3 7.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.42 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.88 98.63 1.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 52.23 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 11.0 mt-10 -89.21 -44.84 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 63.54 110.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -62.02 82.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.34 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 91' ' ' VAL . 2.3 mt -150.57 132.03 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 73.53 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 p -101.39 171.5 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 75.2 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 88' ' ' ALA . 92.5 m-20 -111.22 -30.09 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.25 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.74 23.01 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.11 109.308 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.59 -43.28 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 71.54 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.013 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -110.34 -24.82 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 75.55 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 7.2 tt0 -38.5 -39.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 72.53 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' GLU . 5.6 t-160 39.42 59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.13 109.578 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 5.3 p-80 -40.0 116.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 71.12 109.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -158.3 -176.17 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 74.23 109.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -79.17 116.26 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 64.13 109.631 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -120.48 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 44.51 109.628 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 64.02 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -90.48 -26.21 19.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 62.13 110.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -145.3 147.19 32.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.44 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 69' ' ' LEU . 5.9 mt -70.55 137.66 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 64.34 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 72.31 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.04 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.4 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 72.43 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.14 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 55.4 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.43 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.32 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.42 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.02 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.2 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 25.43 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.995 HD23 ' CD1' ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 35.53 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.24 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.32 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.43 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.32 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.4 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.35 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.13 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 61.23 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.13 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 60.01 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.12 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.23 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.24 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 63.33 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.32 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.01 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.42 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.442 ' CE ' HD21 ' A' ' 41' ' ' LEU . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.34 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 72.22 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.42 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 64.54 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.44 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.35 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.2 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.54 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.863 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.31 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 70.32 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 70.25 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.24 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 44' ' ' SER . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.42 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.52 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 64.42 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 65.22 109.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.454 ' HE3' HD11 ' A' ' 63' ' ' ILE . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 64.33 110.992 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.34 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' OE1' HD23 ' A' ' 85' ' ' LEU . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 63.25 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.762 HG21 HG23 ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.45 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.13 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 73.24 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 54.22 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.22 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.41 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 70.5 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.4 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 72.41 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.31 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.661 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.34 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.02 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 64.22 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.02 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 4' ' ' LEU . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.41 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.12 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.55 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.768 ' HG3' HD23 ' A' ' 71' ' ' LEU . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 70.43 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.54 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.731 ' HD2' HD12 ' A' ' 85' ' ' LEU . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 54.11 110.253 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -71.37 -172.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 51.14 110.291 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 14.6 tp -42.17 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.2 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' GLN . 13.3 tppt? -175.07 156.11 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.31 109.335 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.6 t -68.32 113.12 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 42.1 109.983 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.32 164.72 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 55.22 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -121.51 56.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 64.4 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.19 167.19 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 75.23 109.995 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.03 110.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 70.22 110.243 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.608 ' O ' HD22 ' A' ' 86' ' ' LEU . 6.3 mt-30 -118.13 -8.2 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 75.24 110.308 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.6 -16.83 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 71.21 110.31 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.968 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.4 tm? -65.14 -12.22 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.54 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 83' ' ' GLN . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 73.35 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.3 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 62.43 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.11 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.681 ' CG ' HD13 ' A' ' 121' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.02 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 116' ' ' LEU . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 73.44 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.22 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HG23 ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.13 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 62.23 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.21 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.55 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 62.23 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 76' ' ' LEU . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.31 111.065 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' A' ' 75' ' ' GLN . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 62.12 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.45 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 61.54 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.22 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.53 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 64.44 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 18' ' ' LEU . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.35 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 70.11 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.679 HG21 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.03 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.995 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.03 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 60.12 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.34 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 109' ' ' LEU . 8.0 mt -42.22 163.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.13 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 171.61 -172.75 44.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 71.23 110.972 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -38.85 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 71.31 110.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -142.09 -178.12 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 75.43 109.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HB2' HG21 ' A' ' 91' ' ' VAL . 2.5 pt? -171.55 124.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 73.14 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 53.4 p -106.79 -170.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 73.14 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.43 -27.22 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 60.53 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.56 -0.03 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 52.44 109.335 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.91 -40.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 65.01 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -112.4 -67.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.23 109.315 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.16 80.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 53.23 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.08 165.12 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.23 109.594 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 151.75 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 74.02 109.569 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -108.58 156.07 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 70.14 109.554 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -115.47 18.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.21 109.567 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.78 114.19 27.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 74.22 109.57 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.14 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.02 -0.363 . . . . 34.43 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 134.33 43.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 75.43 110.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -67.96 -175.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.31 109.281 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.1 mp -57.05 176.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.34 109.276 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 34.53 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.972 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.11 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 72.44 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' OE1' HD23 ' A' ' 4' ' ' LEU . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 64.21 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 70.32 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 53.11 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 52.13 110.296 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.933 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.15 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.51 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.03 110.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 54.21 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 64.22 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.41 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 70.24 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD2' HG11 ' A' ' 35' ' ' VAL . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.24 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.11 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HZ1' ' HB ' ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.11 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 61.12 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.33 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 72.25 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 13.54 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.35 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 72.43 109.343 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.21 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 44.33 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.1 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 52.52 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD22 ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.41 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 61.42 109.259 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.751 ' HB ' ' HZ1' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.44 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 19' ' ' PHE . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.05 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.729 ' CE ' HD21 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.33 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.44 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 36' ' ' MET . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.14 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 72.52 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 62.1 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.55 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 74.54 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 62.23 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.02 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.34 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 44' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.25 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 62.32 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 65.4 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.34 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.622 ' SD ' HD22 ' A' ' 32' ' ' LEU . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.31 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 63.55 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.796 HG22 HD12 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.43 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 51.22 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' OE1' ' A' ' 67' ' ' GLU . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.33 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.31 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.43 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 31.21 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.5 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.51 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 55' ' ' ILE . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.45 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.2 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' O ' HD13 ' A' ' 69' ' ' LEU . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.21 110.975 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.14 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.43 110.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.04 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 73.15 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 52.41 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 55.21 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 1.041 ' N ' HD13 ' A' ' 71' ' ' LEU . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 63.13 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' LEU . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.01 110.018 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.01 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.1 mp0 -89.36 41.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.41 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' SER . 22.8 tp -101.94 149.02 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 73.33 109.244 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -26.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.43 109.293 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 76' ' ' LEU . 20.5 t -94.88 51.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 72.23 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -51.63 -66.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.24 109.262 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 t0 48.98 33.26 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 73.53 109.271 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -169.12 158.71 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 70.25 109.992 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.44 137.38 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 75.35 110.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -97.88 5.87 48.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.14 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.21 -27.24 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 71.03 110.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 85' ' ' LEU . 1.5 tm? -62.79 -45.67 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 63.53 109.272 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.3 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.9 ' HA ' HD21 ' A' ' 121' ' ' LEU . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 61.41 110.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.03 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.798 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.23 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' HD3' HD22 ' A' ' 121' ' ' LEU . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.43 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.891 HG13 ' CD1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.891 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.42 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.34 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 64.22 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.53 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 43.44 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.53 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 70.32 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.22 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 61.32 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.933 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 71.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 70.42 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.42 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.818 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.33 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 72.23 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.32 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 105' ' ' LEU . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.51 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.01 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 65.01 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.3 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.479 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.2 mm 67.95 9.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 61.21 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.53 123.11 6.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 70.34 111.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -45.65 163.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 45.53 110.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -43.86 113.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.3 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.39 143.33 44.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 75.3 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 117' ' ' THR . 82.4 p -38.68 133.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 75.53 110.444 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.98 -21.54 60.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 64.31 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.55 -4.15 35.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 73.5 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 12.2 tp10 -38.9 -55.04 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 73.24 110.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -95.17 -43.32 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.11 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.37 81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.24 110.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 123' ' ' HIS . 3.4 p80 -152.62 105.62 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 54.41 109.605 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 126' ' ' HIS . 14.5 t60 -161.64 130.91 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 61.31 109.602 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -46.51 96.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.32 109.614 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' HIS . 2.1 p80 -63.13 160.39 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 60.53 109.592 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -103.37 -73.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.43 109.596 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.41 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.995 -0.372 . . . . 65.24 109.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.31 22.02 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 71.1 109.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -159.96 -179.36 7.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 64.25 109.337 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 69' ' ' LEU . 14.6 mt -85.29 148.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.33 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 71.22 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.04 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.33 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 61.52 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.4 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 54.03 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.33 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.945 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 64.44 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 62.14 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.01 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 54.12 109.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.42 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.35 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.071 HD23 ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 64.23 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.4 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.34 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 61.23 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.02 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.03 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 51.04 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.43 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 ' CE1' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.03 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 71.33 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.44 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.24 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.12 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.52 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 65.1 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.04 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.51 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.98 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.23 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.4 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 64.2 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.98 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 44.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 63.32 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.24 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 73.44 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 52.35 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.11 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.13 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.03 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.22 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.33 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.43 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.564 ' HE1' HG12 ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 71.02 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.53 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.031 HG22 HD12 ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 63.51 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.31 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.34 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.23 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 62.45 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 62.35 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 61.55 110.315 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 63.34 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.22 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.956 ' O ' HD13 ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.4 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.51 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.31 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.41 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.04 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.54 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.12 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.32 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.524 HH21 ' HB2' ' A' ' 81' ' ' SER . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.11 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.74 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 62.2 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ARG . 7.6 tp -173.96 150.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 63.15 109.336 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -65.38 -15.79 62.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 63.15 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -123.28 102.9 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 73.53 109.98 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.468 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 14.3 t-20 -175.28 116.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.2 109.257 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.79 59.18 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 72.3 109.31 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.524 ' HB2' HH21 ' A' ' 74' ' ' ARG . 6.0 p -161.84 157.92 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.12 109.976 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 8.9 tt0 -38.92 121.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 63.41 110.345 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 86' ' ' LEU . 38.4 mt-30 -116.02 -10.65 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.24 110.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.38 -8.87 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.13 110.291 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.7 tm? -61.58 -24.09 66.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 72.13 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.33 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.814 ' HG2' HD13 ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.23 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.41 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.31 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.773 ' HE3' HD21 ' A' ' 121' ' ' LEU . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.52 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 116' ' ' LEU . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.03 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.894 ' HB2' HG21 ' A' ' 100' ' ' ILE . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.3 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 50.45 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 63.43 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.42 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.31 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 74.02 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 62.22 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 100' ' ' ILE . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.32 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.894 HG21 ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.34 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.32 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.945 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 60.01 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.41 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 100' ' ' ILE . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 61.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.938 ' O ' HG12 ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.43 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 109' ' ' LEU . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 74.14 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.43 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 105' ' ' LEU . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 65.45 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.071 ' CD1' HD23 ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 62.15 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.23 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.42 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' LEU . 1.7 mp -40.7 145.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 60.44 109.301 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.36 -166.37 34.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 54.4 111.053 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.82 179.03 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 74.21 110.267 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm 52.24 40.16 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 62.34 109.315 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 117' ' ' THR . 6.1 mt -127.97 130.0 47.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 72.03 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.8 p -156.67 150.59 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 61.43 110.431 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 1.74 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 62.23 109.305 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.13 22.1 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 60.13 109.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.9 ' C ' HD23 ' A' ' 121' ' ' LEU . 10.0 tt0 -59.62 -57.9 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 53.2 110.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD23 ' C ' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -114.76 -9.24 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 75.24 109.269 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.81 54.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.41 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -90.85 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 50.21 109.624 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -157.35 106.3 2.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 72.14 109.565 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 59.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 55.31 109.616 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -117.36 87.61 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.44 109.634 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -63.28 126.87 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 74.22 109.616 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 71.31 109.587 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.995 -0.372 . . . . 73.43 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 49.83 52.46 14.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 75.24 110.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.07 148.22 30.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.11 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 13.6 mt -80.34 129.67 34.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.23 109.318 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.11 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.42 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.32 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.52 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 52.44 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 63.24 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.846 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 74.21 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.2 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 54.31 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.21 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 32.35 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.991 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.41 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.34 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.23 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.41 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.24 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.33 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 53.25 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.54 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.44 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.21 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.3 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 62.22 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 65.13 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.25 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 72.51 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.4 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 71.24 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 74.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 70.44 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.33 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 65.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 55.12 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 74.23 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 70.04 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.24 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.45 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.34 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 53.14 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 65.54 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 44' ' ' SER . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.42 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 62.41 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 71.13 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.563 ' HE1' HG12 ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.4 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.44 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 72.22 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.998 HG22 HD12 ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.13 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.24 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 41.54 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 63.31 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 61.32 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.13 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.998 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.12 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.13 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.13 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.35 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.23 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 64.52 110.981 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 12' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.55 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.01 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 55' ' ' ILE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.14 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 44.44 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.32 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 -61.81 -13.52 24.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.11 110.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 62.21 109.34 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -117.75 -5.84 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 73.22 109.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 8.4 t -38.91 -46.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.51 110.025 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 81' ' ' SER . 5.9 p30 -57.97 141.37 49.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 61.22 109.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -40.31 -29.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 63.24 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 79' ' ' ASN . 14.5 m -159.23 138.3 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 75.24 109.999 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.58 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.44 110.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' OE1' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.57 -173.34 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 73.12 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' LEU . 20.9 mp0 -94.08 -20.63 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 75.42 110.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.75 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.6 tm? -39.99 -63.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 62.01 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.31 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 121' ' ' LEU . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.03 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.04 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.1 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.952 ' HE2' HD11 ' A' ' 121' ' ' LEU . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.32 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 116' ' ' LEU . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 51.41 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 55.44 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' HB3' ' CD ' ' A' ' 90' ' ' LYS . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.31 110.022 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.43 109.299 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.1 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.21 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 62.53 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.809 ' H ' ' HZ3' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.52 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.45 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.874 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 64.45 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 42.31 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.43 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.498 ' OE2' HG22 ' A' ' 100' ' ' ILE . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.43 110.262 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.797 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 71.32 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 64.51 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 61.42 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.969 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 63.52 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.991 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 52.23 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.42 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 72.43 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm 69.72 7.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.23 109.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 116' ' ' LEU . . . -74.02 123.03 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 53.22 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 13.5 mt-10 -83.78 -36.62 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 74.51 110.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' NZ ' ' CB ' ' A' ' 115' ' ' LYS . 6.0 mtpm? -56.79 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 55.02 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 91' ' ' VAL . 3.9 pp -170.86 155.53 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 54.01 109.272 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.3 p -157.89 159.85 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 55.2 110.389 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -87.95 -5.25 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.32 109.267 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 123' ' ' HIS . . . -92.03 22.99 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 61.34 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.626 ' C ' HD23 ' A' ' 121' ' ' LEU . 11.4 mt-10 -70.6 -60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 62.14 110.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.952 HD11 ' HE2' ' A' ' 90' ' ' LYS . 2.4 mt -110.31 -10.63 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 73.24 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 78.1 mt-10 -72.74 -1.32 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.23 110.337 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.413 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 5.3 m170 -68.79 -171.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.44 109.591 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -83.62 105.55 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 63.31 109.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.8 -76.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.43 109.581 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -114.19 -76.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 61.41 109.597 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.7 t60 66.76 36.66 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 74.42 109.618 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 128' ' ' HIS . 10.4 t-80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 64.01 109.632 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.03 -0.359 . . . . 61.52 110.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.53 -69.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 75.44 110.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -133.75 160.2 38.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 71.01 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.4 mp -54.87 175.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 75.11 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.3 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.41 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 64.15 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.43 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.086 HG23 ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.13 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.03 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.34 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.963 ' CE2' ' HB2' ' A' ' 102' ' ' ALA . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.54 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 64.23 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.05 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.05 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.1 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 109' ' ' LEU . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.2 109.304 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 63.45 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.33 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.04 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.21 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.24 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 70.23 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.13 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 64.1 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.11 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.11 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 65.33 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 54.32 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.43 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.34 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.31 109.293 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.43 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.14 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.826 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 62.41 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.31 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.23 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD23 HD13 ' A' ' 112' ' ' ILE . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 62.32 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.01 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.826 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.14 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 62.42 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.51 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.34 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 53.41 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 44.5 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 73.23 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.41 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.42 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 60.21 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 63.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.498 ' HE1' HG12 ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.04 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.2 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.41 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.741 HG22 HD12 ' A' ' 63' ' ' ILE . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.44 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.24 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 64.11 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.4 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 51.32 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.53 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 62.01 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 84.0 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 72.15 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.24 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 70.04 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.086 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 61.52 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 42.4 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.24 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD1' HG21 ' A' ' 63' ' ' ILE . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.21 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 61.44 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 51.05 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.41 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.1 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.12 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.51 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.793 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.9 mp0 -58.44 -176.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 71.01 110.315 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.61 72.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 62.44 109.287 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 79' ' ' ASN . 7.6 ptpt -175.11 141.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 75.42 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t 39.46 30.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.04 109.994 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 77' ' ' LYS . 21.3 t-20 -175.27 116.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 62.54 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -121.51 21.68 10.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 62.54 109.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.8 t -76.21 -73.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 73.1 109.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -111.43 113.37 25.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 74.22 110.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -120.23 11.64 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.54 110.254 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.4 -7.65 31.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 61.41 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.7 tm? -84.03 -38.1 21.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 50.43 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 87' ' ' GLU . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 70.22 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' A' ' 86' ' ' LEU . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.14 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.52 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.21 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.431 ' CE ' ' HB3' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.15 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 50.05 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.978 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 63.53 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.692 ' HB2' HG23 ' A' ' 100' ' ' ILE . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 54.32 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 61.42 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 62.34 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.33 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.31 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.42 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 53.3 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 42.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.34 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.41 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.22 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 71.32 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 64.2 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.41 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.978 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.43 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.781 HD13 HD23 ' A' ' 18' ' ' LEU . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 72.44 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 71.41 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.14 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.679 HD13 HD23 ' A' ' 39' ' ' LEU . 2.7 mm 61.28 13.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.14 109.335 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -70.98 74.86 0.62 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 70.14 111.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.521 ' O ' HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -36.07 -59.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 75.43 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -44.25 136.52 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 64.03 109.306 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 114' ' ' GLU . 1.5 pt? -174.83 134.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 72.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.7 p -148.63 -175.4 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.53 110.383 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.36 -35.65 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 71.44 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.69 17.91 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.13 109.301 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 3.5 tp10 -69.06 -29.12 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.43 110.245 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.493 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 1.1 pt? -115.34 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 63.31 109.323 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -53.94 111.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.14 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 121' ' ' LEU . 23.9 m80 -123.31 153.45 40.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.25 109.609 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 37.7 m80 -40.71 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.12 109.628 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 31.4 m-70 -164.49 158.6 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.31 109.6 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -108.33 142.92 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.2 109.597 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.42 164.68 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 65.14 109.568 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 71.11 109.569 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.996 -0.372 . . . . 42.52 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -115.15 44.43 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 72.14 109.956 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -62.31 145.66 53.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 61.01 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 69' ' ' LEU . 9.3 mt -71.39 141.58 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 72.02 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 61.22 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.44 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.24 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.44 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.577 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.1 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 61.2 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.31 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.75 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.1 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.54 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.34 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.23 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.23 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.761 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.45 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.23 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 54.41 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.22 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.52 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.12 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 63.21 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.11 110.003 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.3 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.43 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 64.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.21 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.41 110.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 63.42 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.4 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.804 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.21 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 31' ' ' GLU . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 63.51 109.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.79 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.21 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.1 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.55 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 35' ' ' VAL . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.55 109.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.41 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.22 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 40.02 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.14 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 63.22 109.986 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 54.11 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 55.34 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.31 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 61.41 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.33 109.334 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 50.12 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.1 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 54.34 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.44 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.745 ' CG2' HD12 ' A' ' 63' ' ' ILE . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.13 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 71.23 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.442 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.31 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.31 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.52 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.21 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.4 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.745 HD12 ' CG2' ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.2 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 70.53 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 54.13 111.029 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 34.03 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 62.42 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.44 111.058 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 HD13 ' A' ' 4' ' ' LEU . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.31 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 65.34 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 62.42 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 64.14 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.35 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.03 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.826 ' CD ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -78.13 -17.58 56.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 72.24 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mp -42.14 -34.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 75.43 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -40.62 116.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 65.24 109.325 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 48.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.21 109.986 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -175.49 129.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 64.12 109.246 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.17 91.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 62.02 109.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 t -112.15 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.25 110.052 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.6 tp10 -80.61 -72.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 73.12 110.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 40.39 28.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 75.21 110.254 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' GLU . 14.6 tt0 -98.07 -37.64 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 63.2 110.339 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.1 tm? -93.6 -20.55 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 51.43 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.826 HD23 ' CD ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.13 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.43 110.337 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.1 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 71.21 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 121' ' ' LEU . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.13 109.356 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.807 HG13 ' CD1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 43.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 108' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 63.11 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 100' ' ' ILE . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.45 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.13 109.302 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.43 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.571 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.2 110.982 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.33 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.44 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 50.21 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 65.13 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.31 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.21 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.42 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 50.52 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.777 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.52 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.53 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.91 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.31 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.761 ' CD1' HD23 ' A' ' 18' ' ' LEU . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 53.54 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.31 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.42 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.729 HG22 ' N ' ' A' ' 113' ' ' GLY . 5.2 mt -41.75 -91.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 63.41 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.729 ' N ' HG22 ' A' ' 112' ' ' ILE . . . 82.71 -139.28 19.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 51.34 111.019 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.22 -174.82 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 75.45 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -46.55 132.79 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 62.41 109.332 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.422 HD12 ' CG2' ' A' ' 91' ' ' VAL . 2.0 pt? -132.11 155.0 48.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 74.35 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -141.05 177.1 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 64.13 110.407 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -96.42 14.85 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.24 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -99.43 16.44 23.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 74.02 109.31 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -48.11 -48.07 34.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 63.03 110.332 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 90' ' ' LYS . 1.8 pt? -115.52 -38.24 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.21 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.47 79.57 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 70.1 110.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -80.11 75.92 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 54.21 109.574 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.699 ' CE1' ' CD2' ' A' ' 125' ' ' HIS . 2.6 t-80 -109.43 169.87 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.32 109.59 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.699 ' CD2' ' CE1' ' A' ' 124' ' ' HIS . 21.7 p80 -46.65 110.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.41 109.575 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -64.14 125.4 24.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 74.45 109.612 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.65 -177.98 5.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 65.15 109.618 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.41 109.6 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.016 -0.364 . . . . 72.24 110.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -98.02 9.1 43.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 110.031 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -156.55 172.43 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 70.1 109.265 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 12' ' ' PHE . 6.2 mt -79.42 130.33 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.5 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.52 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.24 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.42 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 54.42 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' CE1' ' A' ' 65' ' ' PHE . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 63.01 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 62.53 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 64.42 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.909 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 63.21 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 65.24 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 70.13 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 71.35 109.263 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' N ' ' C ' ' A' ' 14' ' ' GLU . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 63.15 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 62.12 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 14' ' ' GLU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 71.35 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.091 ' CD1' HG11 ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.11 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.23 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 73.22 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.24 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 62.51 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 53.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.43 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 64.05 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.23 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.34 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.34 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.3 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.03 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.42 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 54.03 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.091 HG11 ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.41 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.949 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 71.22 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.42 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.51 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.949 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.24 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.14 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 63.32 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.33 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.894 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 73.43 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.14 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.4 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.02 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.11 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.31 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.4 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.87 ' CE ' HD11 ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.33 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 40.32 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.869 HG22 HD12 ' A' ' 63' ' ' ILE . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 60.21 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.21 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 67' ' ' GLU . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.14 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.55 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 64.51 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.33 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 65.24 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.43 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.87 HD11 ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.24 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.21 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.775 ' CE1' HG23 ' A' ' 9' ' ' ILE . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.52 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 63.35 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 57' ' ' VAL . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 71.31 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.1 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 65' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.31 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.34 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.52 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.573 ' HA ' HD22 ' A' ' 76' ' ' LEU . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.23 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.503 HE21 HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -130.62 23.73 5.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.02 110.267 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -132.75 16.07 4.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 52.12 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HZ3' ' HA ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -152.43 149.36 28.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 63.24 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -44.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 52.13 110.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 3.7 m120 -100.08 -174.76 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 70.31 109.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -86.44 48.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.01 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m 56.43 24.88 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 53.41 109.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.76 108.75 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 72.14 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -134.08 8.83 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 65.51 110.294 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 -29.97 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.1 110.274 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -75.54 -50.38 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 73.4 109.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.44 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 70.34 110.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB2' ' OD1' ' A' ' 118' ' ' ASP . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 52.12 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CD1' HD13 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.34 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HG3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.13 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 88' ' ' ALA . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.51 109.332 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.815 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.24 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.597 ' HB2' HG23 ' A' ' 100' ' ' ILE . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.12 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 62.53 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.544 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 8.2 p30 -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 62.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 64.24 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.41 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 73.13 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 73.23 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.12 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 43.12 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.909 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.23 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 108' ' ' VAL . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.32 110.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 62.44 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.971 ' HA ' HD12 ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.32 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.52 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 112' ' ' ILE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.41 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.971 HD12 ' HA ' ' A' ' 106' ' ' LYS . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.24 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 60.21 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.2 mp -40.34 156.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.04 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.44 -6.71 12.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 73.33 110.981 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 91' ' ' VAL . 2.1 mt-10 -54.67 -168.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 61.34 110.284 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.665 ' O ' HG23 ' A' ' 117' ' ' THR . 4.9 mtmp? -78.33 0.81 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 65.33 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER 42.56 27.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.335 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 115' ' ' LYS . 2.0 p -91.75 137.97 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.11 110.415 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.676 ' OD1' ' HB2' ' A' ' 88' ' ' ALA . 5.9 m-20 -95.86 -29.49 14.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.32 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.12 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 62.32 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.667 ' HG2' HD23 ' A' ' 121' ' ' LEU . 8.3 pt-20 -38.9 -43.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.44 110.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -101.19 -20.69 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 70.41 109.353 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.402 ' CD ' ' CD ' ' A' ' 87' ' ' GLU . 7.7 mt-10 -103.71 45.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 71.5 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 75.25 109.594 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -131.62 -174.55 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.31 109.561 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.78 169.84 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 72.53 109.617 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.01 32.38 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 75.04 109.607 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -84.98 135.82 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.44 109.584 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.43 109.597 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.981 -0.377 . . . . 73.3 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -61.69 -28.32 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 73.3 110.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -145.36 165.89 27.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 72.5 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD22 ' HE2' ' A' ' 12' ' ' PHE . 8.7 mt -80.61 135.1 36.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.4 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 64.13 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.55 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 64.12 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 65.3 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 62.54 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 50.21 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.13 110.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ3' ' HZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.45 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 52.42 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 64.11 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.23 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.01 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.42 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HD11 ' A' ' 109' ' ' LEU . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.43 110.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.23 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' NZ ' HG21 ' A' ' 34' ' ' THR . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 74.44 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.12 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.51 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.13 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 52.1 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 71.2 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.14 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 62.41 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 22.12 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.44 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 63.45 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.3 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.12 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 72.34 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.51 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.998 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.14 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.14 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.44 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 64.22 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 34.13 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 72.23 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.32 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.967 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.24 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.4 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 42.42 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.31 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.33 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.22 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.33 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.42 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG3' HG12 ' A' ' 48' ' ' VAL . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.33 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.03 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.33 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 63' ' ' ILE . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.03 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 65.13 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' OE1' ' A' ' 67' ' ' GLU . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.2 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.1 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.33 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.33 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.01 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.51 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.609 HG23 HG21 ' A' ' 55' ' ' ILE . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.44 109.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.51 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.787 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 63.42 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.12 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 57' ' ' VAL . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.44 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 64.32 110.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.04 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.3 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.34 109.331 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.15 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.595 ' OG ' HD11 ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 62.12 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 82' ' ' GLU . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.03 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.83 141.15 55.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 70.24 110.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 99' ' ' LEU . 8.4 mp 62.18 43.57 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 65.34 109.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -174.82 146.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 72.11 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -55.15 141.06 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 74.45 110.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -140.26 161.92 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 72.22 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -80.69 54.99 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 74.12 109.245 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m 63.94 22.67 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 62.04 110.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 82.0 tt0 -75.93 -81.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 73.13 110.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 82' ' ' GLU . 6.0 mm100 33.35 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 72.14 110.299 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.0 pt-20 -99.74 -21.21 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 74.33 110.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HG ' HD12 ' A' ' 71' ' ' LEU . 2.9 mm? -89.16 14.3 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 70.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 64.11 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.974 ' N ' HD13 ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.24 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 100' ' ' ILE . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.43 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 64.34 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.8 HG23 HD22 ' A' ' 116' ' ' LEU . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 70.25 109.348 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.831 ' CD1' HG23 ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 71.44 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB2' HG23 ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.22 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.33 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.55 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 51.42 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.13 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.575 ' CD1' HD13 ' A' ' 76' ' ' LEU . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 71.3 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.4 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.1 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.23 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 55.54 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.13 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 62.34 109.341 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' A' ' 18' ' ' LEU . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 71.24 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.33 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.831 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 62.14 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.41 109.301 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 61.02 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 61.44 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm 68.97 7.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 72.25 109.319 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.64 110.76 3.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 34.51 111.032 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 1.021 ' O ' HD12 ' A' ' 116' ' ' LEU . 1.7 mp0 -45.81 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 62.01 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -40.81 104.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.1 109.239 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.021 HD12 ' O ' ' A' ' 114' ' ' GLU . 3.0 mp -84.99 -174.98 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 72.14 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 p -114.26 165.23 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 74.12 110.384 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.01 -20.52 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 74.14 109.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.88 -0.76 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.54 109.296 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.91 -61.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 65.31 110.267 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 121' ' ' LEU . 2.0 pt? -110.97 -36.92 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.53 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.455 ' CG ' ' HG2' ' A' ' 87' ' ' GLU . 7.3 mm-40 -38.96 139.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 75.22 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -163.23 -178.44 5.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 74.04 109.632 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 1.8 p80 -60.93 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 74.41 109.549 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -124.82 56.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.45 109.607 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -102.89 144.44 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 74.35 109.556 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -117.48 -59.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 61.34 109.592 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.7 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 60.13 109.555 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.943 -0.391 . . . . 74.53 109.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -56.43 153.99 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 72.13 110.014 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -146.69 145.0 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.284 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' HE2' ' A' ' 12' ' ' PHE . 6.9 mt -53.76 139.09 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 61.33 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.52 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.01 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.4 110.277 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.4 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.44 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.43 109.258 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.41 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.01 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 72.32 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.673 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.01 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.23 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.1 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.45 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.13 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD21 ' A' ' 109' ' ' LEU . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 74.42 111.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.5 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 64.42 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 54.21 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.11 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.51 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 74.23 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.44 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.23 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.24 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.22 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.04 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD22 ' SD ' ' A' ' 52' ' ' MET . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.22 109.257 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.22 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.54 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 71.51 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.877 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.01 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.22 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 52.12 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.53 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' HD23 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.14 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 33.13 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.41 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.05 111.044 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.14 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.01 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.15 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 44' ' ' SER . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.13 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.32 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.41 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.15 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.667 ' SD ' HD22 ' A' ' 32' ' ' LEU . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 71.04 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.54 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 54.52 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 63.3 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 54.42 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 62.43 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 51.25 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 43.24 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 65.03 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 70.22 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.34 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD12 HG22 ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 64.14 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.15 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.711 ' O ' HD13 ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 71.32 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.22 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 55.44 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 71' ' ' LEU . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 51.45 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 70.12 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 61.02 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 71.44 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.4 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.13 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HB2' ' NE2' ' A' ' 75' ' ' GLN . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.21 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.595 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.3 mp0 -105.32 73.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.12 110.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tp -125.23 -75.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.51 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -63.18 136.49 57.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 75.23 109.296 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 t -78.33 121.99 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 71.31 110.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.461 ' ND2' ' CA ' ' A' ' 128' ' ' HIS . 0.7 OUTLIER 66.22 46.26 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.14 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.92 173.09 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.32 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.7 m -94.72 -8.63 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -109.72 -14.24 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.44 110.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.3 pt20 -70.91 -5.73 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 74.13 110.318 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -51.82 -21.06 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 72.12 110.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.6 tm? -92.3 23.64 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 74.42 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.673 HD23 ' C ' ' A' ' 86' ' ' LEU . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 64.13 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.44 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB2' ' OD2' ' A' ' 118' ' ' ASP . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.12 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.22 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' HD21 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 51.51 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 116' ' ' LEU . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.1 109.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.772 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 70.23 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.552 ' HB2' HG23 ' A' ' 100' ' ' ILE . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.34 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.15 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 52.23 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.45 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.3 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.13 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.54 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.31 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.52 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.02 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 70.2 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.3 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 44.44 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.31 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.43 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 19' ' ' PHE . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 71.12 109.34 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 42.42 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.12 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm 63.98 12.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 64.34 109.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.39 130.39 34.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 72.41 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.532 ' O ' HD22 ' A' ' 116' ' ' LEU . 3.2 mm-40 -86.15 -65.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 73.4 110.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.7 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 55.44 109.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 91' ' ' VAL . 1.9 pt? -173.55 135.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.35 109.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.84 -179.55 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 64.13 110.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.711 ' OD2' ' HB2' ' A' ' 88' ' ' ALA . 2.5 t0 -111.52 -32.9 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 70.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.02 20.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 71.45 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' OE1' HD23 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -62.73 -35.38 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 73.43 110.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD23 ' OE1' ' A' ' 120' ' ' GLU . 1.1 mt -109.04 -52.29 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.31 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 124' ' ' HIS . 4.5 mt-10 -47.18 -24.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.45 110.33 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.57 -30.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 73.32 109.572 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 55.3 m80 -61.75 -173.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 44.31 109.636 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 1.5 m80 -150.63 174.76 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 53.32 109.633 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 59.91 40.87 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 63.4 109.545 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -65.32 88.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 75.23 109.615 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.461 ' CA ' ' ND2' ' A' ' 79' ' ' ASN . 3.0 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.54 109.584 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' OE1' ' A' ' 8' ' ' GLN . 7.4 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.33 -0.619 . . . . 53.35 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 72.33 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 65.41 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.02 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.601 ' OE1' HD23 ' A' ' 4' ' ' LEU . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.22 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.739 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.32 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.22 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.31 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CD2' HD21 ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.14 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' HD22 ' A' ' 18' ' ' LEU . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.23 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 65.13 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.14 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.01 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 70.02 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.31 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.3 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.43 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 73.41 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 61.23 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.41 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 50.54 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.33 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.11 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.33 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.31 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.53 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.24 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 33.31 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.42 109.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 53.14 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 31' ' ' GLU . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.33 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.52 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.55 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 54.32 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 54.24 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 63.22 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.14 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.52 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 62.23 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 62.42 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 63.21 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.34 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 44' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 70.21 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.31 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.55 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.24 109.335 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.604 ' HE1' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.12 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.44 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.1 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.008 HG22 HD12 ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.55 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 64.54 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.12 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.35 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.41 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.41 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 63' ' ' ILE . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.31 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HG22 ' A' ' 55' ' ' ILE . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.45 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.12 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.739 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.13 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 53.45 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.646 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 73.42 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' ILE . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.23 110.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 70.45 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.55 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.44 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HE3' ' HA ' ' A' ' 69' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 72.05 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 62.41 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.34 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 75' ' ' GLN . 2.1 mp0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.31 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.31 -0.626 . . . . 73.43 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 52.01 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.54 110.304 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 91' ' ' VAL . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.33 109.266 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.24 110.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 93' ' ' ASP . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.15 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.44 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 108' ' ' VAL . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.12 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.646 ' HB2' HG23 ' A' ' 100' ' ' ILE . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.21 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.15 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.44 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 53.11 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.1 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 72' ' ' MET . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.43 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 92' ' ' PHE . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.11 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 52.41 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.35 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 55.42 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' OE2' HG22 ' A' ' 100' ' ' ILE . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.2 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.23 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.05 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 6.3 m-70 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.12 109.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 51.4 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.1 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.51 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.11 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 39' ' ' LEU . 8.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.34 109.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD22 ' CE2' ' A' ' 12' ' ' PHE . 9.3 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.292 -0.633 . . . . 73.55 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.01 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.43 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 61.34 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.33 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.12 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.23 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 4' ' ' LEU . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.14 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.2 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.652 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.51 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.42 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.51 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.14 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CE1' HD21 ' A' ' 109' ' ' LEU . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 72.33 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' NZ ' HG21 ' A' ' 34' ' ' THR . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.41 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 54.44 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 54.11 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 52.25 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.43 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 60.45 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.1 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.697 ' HB3' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.02 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.22 110.253 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.44 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 32.33 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 43.4 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.42 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.777 ' CE ' HD21 ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 52.14 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 64.22 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 54.13 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.13 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.3 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.1 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.12 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.03 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.883 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.34 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 72.23 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 53.53 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.01 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 44' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 71.21 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.44 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 62.13 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 62.12 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.03 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.24 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 44.3 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.714 HG22 HD12 ' A' ' 63' ' ' ILE . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 50.24 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 54.34 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 63.44 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.01 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.11 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.41 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.41 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.714 HD12 HG22 ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.24 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.03 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' O ' HD13 ' A' ' 69' ' ' LEU . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 71.53 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.02 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.53 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.22 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 65' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.12 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.2 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.41 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.42 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 73.32 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.998 ' O ' HD12 ' A' ' 99' ' ' LEU . 6.6 mt-30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 44.22 110.281 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.9 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 75.03 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 64.33 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.21 110.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.44 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.12 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HZ1' ' HA2' ' A' ' 96' ' ' GLY . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 55.41 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 74.44 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 1.207 ' CD2' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 64.02 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.54 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.1 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.22 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.31 111.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.14 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 53.32 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 73.33 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.842 ' N ' HD23 ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 73.04 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 61.24 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.11 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.653 ' OE1' HG22 ' A' ' 100' ' ' ILE . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.43 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 64.24 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.1 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 62.53 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.207 HG21 ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 62.02 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.42 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 61.41 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.42 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.664 HG13 HD23 ' A' ' 39' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.14 109.337 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.298 -0.63 . . . . 70.1 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 73.41 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.03 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.14 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG23 ' CE1' ' A' ' 65' ' ' PHE . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.03 109.247 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.01 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.01 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.91 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 73.14 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.1 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 64.12 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.05 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 52.24 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.724 HD23 HD13 ' A' ' 109' ' ' LEU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' HD21 ' A' ' 109' ' ' LEU . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.14 111.025 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.34 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.33 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.33 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.11 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.23 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.22 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 63.22 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 74.13 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.42 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.04 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.31 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.34 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.22 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.21 109.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 60.23 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.936 ' SD ' HD21 ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.55 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 73.42 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.02 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 36' ' ' MET . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.12 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.53 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.936 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.35 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.05 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 73.43 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.34 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 44.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.3 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 44' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 54.3 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.43 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.14 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.33 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.641 ' HE1' HG12 ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 72.14 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.44 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.53 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.045 HG22 HD12 ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.11 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 52.13 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.23 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 50.34 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 43.24 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.4 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.552 ' C ' HD13 ' A' ' 63' ' ' ILE . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.32 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.045 HD12 HG22 ' A' ' 55' ' ' ILE . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.34 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.33 111.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.21 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.45 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.55 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD21 ' HD2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.21 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 61.31 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.23 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.41 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.11 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.43 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.709 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 71.53 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.54 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.573 ' CG ' HD13 ' A' ' 86' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.33 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 44.31 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 61.12 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' ASP . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.04 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.44 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 71.22 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 62.44 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 70.35 109.278 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.1 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 52.44 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.43 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 15.24 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.44 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' OE1' ' A' ' 104' ' ' GLU . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.35 109.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 51.12 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.91 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.42 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.04 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' OE1' HG22 ' A' ' 100' ' ' ILE . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 64.21 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.12 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.04 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 9.1 m-70 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.54 109.621 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.02 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.724 HD13 HD23 ' A' ' 18' ' ' LEU . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 44.42 109.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.42 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 52.25 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.567 HD13 HD23 ' A' ' 39' ' ' LEU . 4.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 63.44 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 73' ' ' SER . 6.6 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.324 -0.621 . . . . 72.23 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.1 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 53.43 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.1 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 70.13 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.702 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.45 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 55.44 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.33 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 62.24 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.45 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.559 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.13 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 64.54 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.13 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 70.42 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.591 HD23 HD13 ' A' ' 109' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 64.43 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.12 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 52.21 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.23 109.306 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 55.12 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.41 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 73.21 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.14 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 54.2 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.439 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.13 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 50.5 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 71.52 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 52.45 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.22 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD12 ' SD ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 51.42 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 53.04 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 70.35 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.52 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 62.01 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.14 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.41 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 35' ' ' VAL . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.41 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.34 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD12 ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 62.45 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 50.11 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.24 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 64.44 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 51.25 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 63.22 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.346 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.78 ' SD ' HD12 ' A' ' 32' ' ' LEU . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.3 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.32 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.958 HG12 HD22 ' A' ' 71' ' ' LEU . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.21 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 61.51 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.1 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.01 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.11 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.33 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.516 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.21 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 55' ' ' ILE . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.11 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.24 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.54 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.51 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.44 110.246 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HA ' HD21 ' A' ' 71' ' ' LEU . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 73.13 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 72.23 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.23 109.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.958 HD22 HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.24 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 54.31 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 4' ' ' LEU . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.24 109.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 63.23 110.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.14 110.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.328 -0.619 . . . . 71.14 109.328 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 87' ' ' GLU . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 54.44 109.275 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' A' ' 86' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.43 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.35 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.4 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' CE ' ' HA2' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 61.24 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 41.12 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.849 ' HB3' HG11 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 71.53 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.51 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.41 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 74.3 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.13 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.33 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 54.35 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 61.41 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 92' ' ' PHE . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.21 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.44 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 63.11 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.43 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 1.036 ' O ' HG13 ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.4 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.02 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 109' ' ' LEU . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 65.22 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.036 HG13 ' O ' ' A' ' 104' ' ' GLU . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 61.03 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.13 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.33 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 61.34 109.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 12' ' ' PHE . 12.1 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 74.23 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.586 ' C ' HD12 ' A' ' 9' ' ' ILE . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.02 110.405 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.4 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 73.03 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.53 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.763 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.21 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.54 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 70.42 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.867 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.13 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.763 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 51.14 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 63.04 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.4 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.21 109.338 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.21 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.01 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.993 HD23 ' CD1' ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.41 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 72.34 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.21 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.744 ' NZ ' HG22 ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.42 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 52.33 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.35 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 63.12 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 43.15 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.21 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.11 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.15 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.01 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.44 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 55.54 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.744 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.3 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 54.44 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.816 ' CE ' HD21 ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.41 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.44 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 51.44 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.11 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.12 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.23 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.43 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.52 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.33 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 54.43 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 30.33 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.34 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 44' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 70.32 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.24 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.43 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.1 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.452 ' HE3' HD11 ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 45.31 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 72.13 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.23 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.764 HG22 HD12 ' A' ' 63' ' ' ILE . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.01 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 72.5 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.23 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.23 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.54 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.14 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.11 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.42 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.764 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.43 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.44 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.652 ' O ' HD13 ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.2 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.43 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.43 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.44 111.004 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 61.11 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.05 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.771 ' CD2' HH21 ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.13 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.859 ' SD ' HD13 ' A' ' 105' ' ' LEU . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 72.4 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.771 HH21 ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 62.44 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.72 ' HG2' HD12 ' A' ' 99' ' ' LEU . 19.1 mp0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.3 110.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.287 -0.635 . . . . 65.42 109.287 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.23 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.987 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.13 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.51 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 63.54 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 70.44 109.304 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.44 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.934 ' HB2' HG21 ' A' ' 100' ' ' ILE . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.34 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HB2' HG23 ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 54.24 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.23 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.13 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 33.24 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.31 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.32 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.72 HD12 ' HG2' ' A' ' 75' ' ' GLN . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.22 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.934 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.43 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 41.44 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.867 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 61.21 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.12 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.21 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.865 ' O ' HG22 ' A' ' 108' ' ' VAL . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.02 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HE3' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.34 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.33 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 105' ' ' LEU . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.42 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.993 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 60.52 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.44 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.24 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 109' ' ' LEU . 3.4 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 55.02 109.36 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 12' ' ' PHE . 40.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 75.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 64.41 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.45 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.32 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 54.24 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 70.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 23.01 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.45 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.12 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 63.41 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.54 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.11 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.31 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.4 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 35' ' ' VAL . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.24 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 60.13 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' CE ' HG21 ' A' ' 34' ' ' THR . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.44 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.33 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 55.12 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.34 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.42 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 74.34 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 HD23 ' A' ' 32' ' ' LEU . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.42 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.41 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.42 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 44.11 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.41 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.598 HG21 ' CE ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.11 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 51.23 109.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.11 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 54.35 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.23 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 52.21 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.21 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 74.42 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.23 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.41 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.43 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 51.4 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 61.23 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 44' ' ' SER . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.44 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 72.41 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.1 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.41 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.606 ' HE1' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.41 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 64.23 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.33 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.968 HG22 HD12 ' A' ' 63' ' ' ILE . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 73.51 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 74.13 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' OE1' ' A' ' 67' ' ' GLU . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 71.45 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 70.14 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.4 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.575 ' C ' HD13 ' A' ' 63' ' ' ILE . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.44 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.968 HD12 HG22 ' A' ' 55' ' ' ILE . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.15 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 71.4 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.83 ' O ' HD13 ' A' ' 69' ' ' LEU . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.42 111.039 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.41 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HA ' HD23 ' A' ' 71' ' ' LEU . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 70.34 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.83 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.3 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.03 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 54.53 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.33 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.1 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.786 HH22 HD11 ' A' ' 100' ' ' ILE . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.654 ' CG ' HD12 ' A' ' 99' ' ' LEU . 19.2 mp0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 70.24 110.312 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.777 HD12 ' NE ' ' A' ' 74' ' ' ARG . 2.8 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 71.33 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.584 ' HA ' HH21 ' A' ' 74' ' ' ARG . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.24 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.3 110.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 64.14 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.607 ' CE2' HD13 ' A' ' 71' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.43 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.51 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 92' ' ' PHE . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.14 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.993 ' HB2' HG21 ' A' ' 100' ' ' ILE . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 53.12 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 51.41 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 60.34 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.23 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 61.12 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.43 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' CG ' ' A' ' 75' ' ' GLN . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 51.02 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.993 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.42 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.13 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 63.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 53.23 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.52 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.14 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 65.41 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.92 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 53.32 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.859 ' HA ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 61.42 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 74.42 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.701 HD13 HD23 ' A' ' 39' ' ' LEU . 7.3 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.24 109.301 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 36.8 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.257 -0.646 . . . . 74.34 109.257 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.33 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 73.15 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.03 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.23 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG22 ' HE2' ' A' ' 13' ' ' LYS . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 71.52 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.2 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.761 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 54.51 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE2' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 64.14 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.15 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 105' ' ' LEU . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 73.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 70.01 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 64.03 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.871 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.12 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.2 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.24 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' HG21 ' A' ' 34' ' ' THR . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 73.32 109.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 72.12 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.13 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 71.44 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 65.23 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.12 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.41 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 71.21 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.13 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.13 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 62.23 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 42.32 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 72.35 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 73.23 110.393 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 52.12 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.893 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 71.11 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.5 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.33 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.13 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 63.24 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.15 109.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 63.32 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 60.43 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.14 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 72.42 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.11 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.1 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.13 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.21 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 70.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 62.41 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.24 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 71.54 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 63' ' ' ILE . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.41 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.13 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' OE1' ' A' ' 67' ' ' GLU . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.2 109.317 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.22 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.04 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.12 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 44.54 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.71 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 50.43 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 70.02 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.975 ' O ' HD13 ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 52.15 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.11 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.43 110.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.11 111.038 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.975 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.33 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 51.3 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HD21 ' A' ' 105' ' ' LEU . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.31 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.24 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.41 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.691 ' O ' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 72.33 110.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.311 -0.625 . . . . 70.43 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.971 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.32 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.42 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 61.53 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 92' ' ' PHE . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.44 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' HD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.01 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.922 ' CG ' HG21 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.53 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.24 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.33 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.45 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.52 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 61.1 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.971 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.31 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 73.14 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 54.41 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.45 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 11' ' ' GLU . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.41 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 70.1 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.44 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.901 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.44 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.468 ' O ' HD12 ' A' ' 109' ' ' LEU . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 71.4 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.34 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.922 HG21 ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.22 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.871 ' CD1' HD23 ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.54 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.34 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.21 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 HD22 ' A' ' 39' ' ' LEU . 3.0 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.33 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 69' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.15 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 54.32 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.01 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 64.44 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.3 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.24 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.41 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 1.001 ' CD1' ' HB2' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.55 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.55 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 64.43 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 53.02 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 53.43 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.13 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.069 HD23 HD13 ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.41 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' HA ' HG21 ' A' ' 35' ' ' VAL . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.23 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.2 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 72.15 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.24 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.11 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 50.15 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 73.41 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.13 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 63.11 109.276 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.43 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.555 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.41 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.04 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.4 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 71.31 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.2 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 62.22 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 55.45 109.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' HE2' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.55 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 53.53 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.23 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.21 109.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 52.02 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 63.31 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.54 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.42 110.997 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.726 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 62.33 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.33 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.42 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 53.03 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.51 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.21 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 51' ' ' LEU . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.43 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.573 ' HE1' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 71.34 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.42 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.34 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.114 HG22 HD12 ' A' ' 63' ' ' ILE . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 60.24 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.42 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.21 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 42.33 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 62.14 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.54 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 29.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.52 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.114 HD12 HG22 ' A' ' 55' ' ' ILE . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 43.44 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.44 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.794 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.32 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.34 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 70.51 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.33 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 72.32 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 61.42 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.778 HD22 HH21 ' A' ' 74' ' ' ARG . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 41.34 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.23 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ALA . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.02 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.778 HH21 HD22 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.34 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.1 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.13 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.255 -0.646 . . . . 63.34 109.255 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.22 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.32 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.42 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 71.32 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG13 ' HD1' ' A' ' 92' ' ' PHE . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HD2' HG11 ' A' ' 108' ' ' VAL . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 64.13 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 100' ' ' ILE . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.35 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.15 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 53.01 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.34 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.43 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 75' ' ' GLN . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.34 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.563 HG22 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.11 109.342 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.34 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.001 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.1 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.33 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 108' ' ' VAL . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 44.3 110.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.2 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 109' ' ' LEU . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 65.24 109.287 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.4 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HD2' ' A' ' 92' ' ' PHE . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.53 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.069 HD13 HD23 ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.55 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.68 ' O ' HD12 ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.54 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 45.22 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 110' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.33 109.286 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.759 HD22 ' CE2' ' A' ' 12' ' ' PHE . 15.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 64.15 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.32 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.44 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.51 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 55.23 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.1 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.31 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.21 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 63.44 109.264 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' PHE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.2 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.05 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.967 HD23 HD13 ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.03 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 35' ' ' VAL . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.45 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.3 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.54 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.8 OUTLIER 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.45 109.291 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 13.1 p-10 -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.22 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.32 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.42 109.985 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.33 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.54 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.32 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.35 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 61.02 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 65.12 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.4 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 19' ' ' PHE . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.04 109.265 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 1.038 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.11 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.22 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.32 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.038 HD12 ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 60.23 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.31 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 55.32 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.2 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.53 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.736 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 61.22 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.03 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.21 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.55 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.15 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.23 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 63.15 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.13 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 54.11 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.1 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.22 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 63' ' ' ILE . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 61.3 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.24 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.22 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.51 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 62.52 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 53.22 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD12 HG22 ' A' ' 55' ' ' ILE . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 64.14 109.334 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.32 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.744 ' O ' HD13 ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 34.3 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 61.5 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 40.41 110.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.24 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 65' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 64.11 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 60.43 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 55' ' ' ILE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.13 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.24 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.03 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 85' ' ' LEU . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.34 110.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.668 ' NE2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.23 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 72.54 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.44 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.24 110.296 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 51.22 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.14 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.05 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.1 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.816 ' CG ' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 72.21 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 71.11 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 61.23 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.21 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 61.54 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.778 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.01 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD13 ' CG ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 ' OE1' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 70.14 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.44 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.24 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.01 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.827 ' OE1' HG22 ' A' ' 100' ' ' ILE . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.34 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.14 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.42 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.4 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 105' ' ' LEU . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.34 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.967 HD13 HD23 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.13 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.41 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 63.21 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 109.244 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 18.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 70.11 109.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.42 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.03 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.23 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 44.53 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.13 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 62.13 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.14 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.952 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.12 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 41.33 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.25 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.11 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.12 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.901 HD23 ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.15 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.52 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.13 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.24 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 61.31 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 62.3 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 72.42 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 53.4 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 55.4 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.41 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.4 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.518 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 64.02 110.031 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.53 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.53 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.4 109.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 54.04 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.12 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.788 ' SD ' HD21 ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.34 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.14 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.32 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CE ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.12 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.01 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.788 HD21 ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 72.22 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.3 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 1.037 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 62.42 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 63.15 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.45 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.12 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.41 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.23 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.2 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.477 ' HE1' HG12 ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.41 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.44 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.4 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.917 HG22 HD12 ' A' ' 63' ' ' ILE . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.44 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.23 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 51.3 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.54 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.54 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.34 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.34 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.51 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 71.34 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.41 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.22 110.987 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.42 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.21 110.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.44 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 64.21 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 51.22 109.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.53 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.35 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.13 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.881 ' NH1' HD12 ' A' ' 85' ' ' LEU . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 65.31 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.539 HE22 HD11 ' A' ' 100' ' ' ILE . 34.5 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 61.45 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD12 ' NH1' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 73.54 109.341 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.43 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 51.22 110.309 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.53 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 55.24 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 65.41 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 62.22 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.911 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.34 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 65.43 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.04 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.41 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.41 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.53 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.14 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 100' ' ' ILE . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.806 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 42.53 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.11 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.952 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.44 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.33 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 73.15 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.566 ' HE2' HD21 ' A' ' 18' ' ' LEU . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 60.13 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.35 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.911 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 45.43 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.901 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 61.24 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 53.32 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 53.2 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 64.32 109.267 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 59.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 75.53 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.2 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.42 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 74.24 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 65.14 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.954 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 62.01 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.15 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.869 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.04 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 71.35 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.954 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.05 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.2 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.45 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 70.43 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.004 HD23 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.51 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.65 ' HA ' HG21 ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 54.32 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.22 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 71.3 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.02 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.03 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.03 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 61.35 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.03 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.24 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 45.24 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 62.33 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.11 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.53 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 24.03 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 61.1 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 64.44 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.901 ' CE ' HD12 ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 44.41 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 71.54 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.31 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.901 HD12 ' CE ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.02 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 52.44 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.625 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 61.25 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.24 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.521 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 62.51 110.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.42 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 43.33 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.55 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.13 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.23 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.33 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.586 ' HE1' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.55 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.53 110.237 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.4 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.22 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 ' OE2' ' A' ' 67' ' ' GLU . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 52.5 109.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.25 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 44.03 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 73.13 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.12 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 28.6 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.55 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 55' ' ' ILE . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 51.51 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.12 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.834 ' O ' HD13 ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.12 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.14 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE2' HG23 ' A' ' 57' ' ' VAL . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.22 110.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.02 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.32 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.31 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 55' ' ' ILE . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.43 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 62.21 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.13 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.623 ' CD ' HD12 ' A' ' 85' ' ' LEU . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.53 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.744 ' NE2' HD23 ' A' ' 86' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.02 110.277 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.7 tm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.3 -0.629 . . . . 72.13 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.744 HD23 ' NE2' ' A' ' 75' ' ' GLN . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.2 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 65.13 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 64.43 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 70.21 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.12 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 72.14 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.846 ' CE2' HG21 ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.24 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.11 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.3 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.45 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 52.1 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.34 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.22 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 75' ' ' GLN . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 63.1 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.74 HG22 ' OE2' ' A' ' 104' ' ' GLU . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.34 109.337 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.908 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 52.21 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.15 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.74 ' OE2' HG22 ' A' ' 100' ' ' ILE . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 55.21 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 52.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 52.55 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 70.05 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.846 HG21 ' CE2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.45 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.004 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.33 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.5 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 64.52 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.42 109.274 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 69' ' ' LEU . 5.9 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.313 -0.625 . . . . 64.34 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 72.31 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.04 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.4 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 72.43 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.14 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 55.4 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.43 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.32 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.42 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.02 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.2 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 25.43 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.995 HD23 ' CD1' ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 35.53 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.24 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.32 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.43 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.32 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.4 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.35 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.13 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 61.23 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.13 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 60.01 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.12 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.23 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.24 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 63.33 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.32 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.01 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.42 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.442 ' CE ' HD21 ' A' ' 41' ' ' LEU . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.34 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 72.22 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.42 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 64.54 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.44 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.35 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.2 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.54 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.863 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.31 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 70.32 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 70.25 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.24 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 44' ' ' SER . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.42 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.52 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 64.42 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 65.22 109.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.454 ' HE3' HD11 ' A' ' 63' ' ' ILE . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 64.33 110.992 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.34 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' OE1' HD23 ' A' ' 85' ' ' LEU . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 63.25 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.762 HG21 HG23 ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.45 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.13 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 73.24 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 54.22 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.22 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.41 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 70.5 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.4 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 72.41 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.31 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.661 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.34 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.02 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 64.22 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.02 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 4' ' ' LEU . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.41 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.12 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.55 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.768 ' HG3' HD23 ' A' ' 71' ' ' LEU . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 70.43 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.54 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.731 ' HD2' HD12 ' A' ' 85' ' ' LEU . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 54.11 110.253 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 51.14 110.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.968 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.4 tm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.271 -0.64 . . . . 65.54 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 73.35 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.3 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 62.43 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.11 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 86' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.02 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG13 ' HD1' ' A' ' 92' ' ' PHE . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 73.44 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.22 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HG23 ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.13 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 62.23 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.21 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.55 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 62.23 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.31 111.065 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' A' ' 75' ' ' GLN . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 62.12 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.45 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 61.54 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.22 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.53 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 64.44 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 18' ' ' LEU . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.35 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 70.11 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.679 HG21 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.03 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.995 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.03 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 60.12 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.34 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 109' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.13 109.303 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.472 HD23 ' OE1' ' A' ' 8' ' ' GLN . 6.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.639 . . . . 74.34 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 34.53 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.972 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.11 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 72.44 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' OE1' HD23 ' A' ' 4' ' ' LEU . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 64.21 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 70.32 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 53.11 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 52.13 110.296 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.933 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.15 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.51 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.03 110.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 54.21 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 64.22 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.41 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 70.24 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD2' HG11 ' A' ' 35' ' ' VAL . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.24 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.11 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HZ1' ' HB ' ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.11 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 61.12 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.33 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 72.25 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 13.54 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.35 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 72.43 109.343 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.21 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.444 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 44.33 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.1 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 52.52 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD22 ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.41 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 61.42 109.259 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.751 ' HB ' ' HZ1' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.44 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 19' ' ' PHE . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.05 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.729 ' CE ' HD21 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.33 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.44 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 36' ' ' MET . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.14 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 72.52 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 62.1 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.55 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 74.54 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 62.23 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.02 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.34 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 44' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.25 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 62.32 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 65.4 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.34 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.622 ' SD ' HD22 ' A' ' 32' ' ' LEU . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.31 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 63.55 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.796 HG22 HD12 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.43 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 51.22 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' OE1' ' A' ' 67' ' ' GLU . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.33 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.31 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.43 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 31.21 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.5 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.51 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 55' ' ' ILE . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.45 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.2 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' O ' HD13 ' A' ' 69' ' ' LEU . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.21 110.975 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.14 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.43 110.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.04 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 73.15 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 52.41 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 55.21 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 1.041 ' N ' HD13 ' A' ' 71' ' ' LEU . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 63.13 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.01 110.018 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.01 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.1 mp0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.41 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 85' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.272 -0.64 . . . . 63.53 109.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.3 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 61.41 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.03 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.798 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.23 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HZ2' ' HA2' ' A' ' 98' ' ' GLY . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.43 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.891 HG13 ' CD1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.891 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.42 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.34 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 64.22 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.53 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 43.44 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.463 ' HA2' ' HZ2' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.53 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 70.32 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.22 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 61.32 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.933 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 71.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 70.42 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.42 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.818 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.33 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 72.23 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.32 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 105' ' ' LEU . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.51 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.01 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 65.01 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.3 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.479 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.2 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 61.21 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 69' ' ' LEU . 14.6 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 62.33 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 71.22 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.04 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.33 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 61.52 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.4 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 54.03 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.33 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.945 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 64.44 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 62.14 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.603 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.01 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 54.12 109.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.42 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.35 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.071 HD23 ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 64.23 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.4 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.34 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 61.23 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.02 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.03 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 51.04 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.43 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 ' CE1' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.03 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 71.33 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.44 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.24 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.12 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.52 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 65.1 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.04 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.51 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.98 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.23 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.4 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 64.2 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.98 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 44.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 63.32 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.24 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 73.44 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 52.35 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.11 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.13 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.03 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.22 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.33 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.43 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.564 ' HE1' HG12 ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 71.02 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.53 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.031 HG22 HD12 ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 63.51 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.31 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.34 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.23 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 62.45 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 62.35 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 61.55 110.315 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 63.34 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.22 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.956 ' O ' HD13 ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.4 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.51 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.31 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.41 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.04 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.54 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.12 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.32 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 70' ' ' ALA . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.11 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 62.2 110.275 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.7 tm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.318 -0.623 . . . . 72.13 109.318 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.33 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.814 ' HG2' HD13 ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.23 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.41 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.31 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.52 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG13 ' HD1' ' A' ' 92' ' ' PHE . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.03 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.894 ' HB2' HG21 ' A' ' 100' ' ' ILE . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.3 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 50.45 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 63.43 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.42 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.31 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 74.02 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 62.22 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 100' ' ' ILE . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.32 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.894 HG21 ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.34 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.32 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.945 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 60.01 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.41 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 100' ' ' ILE . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 61.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.938 ' O ' HG12 ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.43 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 109' ' ' LEU . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 74.14 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.43 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 105' ' ' LEU . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 65.45 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.071 ' CD1' HD23 ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 62.15 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.23 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.42 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 60.44 109.301 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 13.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 73.23 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.11 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.42 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.32 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.52 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 52.44 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 63.24 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.846 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 74.21 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.2 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 54.31 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.21 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 32.35 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.991 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.41 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.34 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.23 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.41 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.24 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.33 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 53.25 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.54 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.44 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.21 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.3 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 62.22 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 65.13 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.25 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 72.51 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.4 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 71.24 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 74.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 70.44 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.33 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 65.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 55.12 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 74.23 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 70.04 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.24 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.45 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.34 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 53.14 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 65.54 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 44' ' ' SER . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.42 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 62.41 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 71.13 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.563 ' HE1' HG12 ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.4 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.44 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 72.22 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.998 HG22 HD12 ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.13 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.24 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 41.54 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 63.31 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 61.32 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.13 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.998 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.12 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.13 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.13 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.35 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.23 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 64.52 110.981 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 12' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.55 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.01 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 55' ' ' ILE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.14 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 44.44 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.32 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.11 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.75 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.287 -0.634 . . . . 62.01 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.31 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.03 110.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.04 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.1 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.809 ' HZ3' ' H ' ' A' ' 98' ' ' GLY . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.32 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 51.41 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 55.44 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' HB3' ' CD ' ' A' ' 90' ' ' LYS . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.31 110.022 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.43 109.299 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.1 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.21 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 62.53 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.809 ' H ' ' HZ3' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.52 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.45 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.874 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 64.45 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 42.31 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.43 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.498 ' OE2' HG22 ' A' ' 100' ' ' ILE . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.43 110.262 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.797 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 71.32 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 64.51 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 61.42 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.969 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 63.52 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.991 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 52.23 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.42 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 72.43 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.23 109.275 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OG ' ' A' ' 73' ' ' SER . 6.4 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.294 -0.632 . . . . 75.11 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.3 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.41 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 64.15 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.43 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.086 HG23 ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.13 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.03 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.34 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.963 ' CE2' ' HB2' ' A' ' 102' ' ' ALA . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.54 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 64.23 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.05 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.05 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.1 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 109' ' ' LEU . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.2 109.304 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 63.45 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.33 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.04 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.21 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.24 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 70.23 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.13 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 64.1 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.11 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.11 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 65.33 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 54.32 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.43 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.34 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.31 109.293 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.43 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.14 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.826 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 62.41 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.31 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.23 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD23 HD13 ' A' ' 112' ' ' ILE . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 62.32 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.01 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.826 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.14 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 62.42 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.51 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.34 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 53.41 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 44.5 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 73.23 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.41 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.42 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 60.21 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 63.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.498 ' HE1' HG12 ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.04 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.2 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.41 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.741 HG22 HD12 ' A' ' 63' ' ' ILE . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.44 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.24 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 64.11 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.4 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 51.32 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.53 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 62.01 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.7 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 72.15 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.24 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 70.04 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.086 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 61.52 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 42.4 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.24 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD1' HG21 ' A' ' 63' ' ' ILE . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.21 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 61.44 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 51.05 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.41 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.1 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.12 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.51 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.793 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.9 mp0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 71.01 110.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.7 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 50.43 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 87' ' ' GLU . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 70.22 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' A' ' 86' ' ' LEU . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.14 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.52 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.21 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.15 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 50.05 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.978 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 63.53 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.692 ' HB2' HG23 ' A' ' 100' ' ' ILE . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 54.32 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 61.42 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 62.34 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.33 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.31 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.42 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 53.3 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 42.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.34 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.41 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.22 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 71.32 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 64.2 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.41 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.978 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.43 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.781 HD13 HD23 ' A' ' 18' ' ' LEU . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 72.44 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 71.41 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.14 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.679 HD13 HD23 ' A' ' 39' ' ' LEU . 2.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.14 109.335 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 69' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 72.02 109.326 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 61.22 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.44 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.24 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.44 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.577 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.1 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 61.2 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.31 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.75 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.1 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.54 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.34 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.23 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.23 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.761 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.45 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.23 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 54.41 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.22 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.52 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.12 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 63.21 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.11 110.003 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.3 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.43 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 64.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.21 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.41 110.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 63.42 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.4 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.804 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.21 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 31' ' ' GLU . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 63.51 109.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.79 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.21 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.1 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.55 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 35' ' ' VAL . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.55 109.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.41 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.22 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 40.02 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.14 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 63.22 109.986 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 54.11 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 55.34 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.31 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 61.41 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.33 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 50.12 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.1 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 54.34 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.44 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.745 ' CG2' HD12 ' A' ' 63' ' ' ILE . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.13 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 71.23 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.442 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.31 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.31 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.52 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.21 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.4 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.745 HD12 ' CG2' ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.2 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 70.53 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 54.13 111.029 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 34.03 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 62.42 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.44 111.058 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 HD13 ' A' ' 4' ' ' LEU . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.31 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 65.34 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 62.42 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 64.14 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.35 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.03 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.826 ' CD ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 72.24 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.1 tm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 51.43 109.267 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.826 HD23 ' CD ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.13 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.43 110.337 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.1 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 71.21 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.13 109.356 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.807 HG13 ' CD1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 43.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 108' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 63.11 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 100' ' ' ILE . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.45 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.13 109.302 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.43 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.2 110.982 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.33 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.44 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 50.21 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 65.13 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.31 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.21 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.42 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 50.52 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.777 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.52 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.53 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.91 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.31 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.761 ' CD1' HD23 ' A' ' 18' ' ' LEU . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 53.54 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.31 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.42 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 109' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 63.41 109.274 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 12' ' ' PHE . 6.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 74.5 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.52 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.24 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.42 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 54.42 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' CE1' ' A' ' 65' ' ' PHE . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 63.01 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 62.53 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 64.42 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.909 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 63.21 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 65.24 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 70.13 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 71.35 109.263 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' N ' ' C ' ' A' ' 14' ' ' GLU . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 63.15 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 62.12 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 14' ' ' GLU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 71.35 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.091 ' CD1' HG11 ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.11 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.23 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 73.22 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.24 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 62.51 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 53.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.43 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 64.05 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.23 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.34 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.34 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.3 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.03 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.42 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 54.03 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.091 HG11 ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.41 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.949 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 71.22 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.42 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.51 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.949 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.24 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.14 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 63.32 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.33 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.894 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 73.43 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.14 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.4 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.02 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.11 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.31 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.4 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.87 ' CE ' HD11 ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.33 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 40.32 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.869 HG22 HD12 ' A' ' 63' ' ' ILE . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 60.21 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.21 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 67' ' ' GLU . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.14 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.55 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 64.51 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.33 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 65.24 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.43 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.87 HD11 ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.24 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.21 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.775 ' CE1' HG23 ' A' ' 9' ' ' ILE . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.52 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 63.35 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 57' ' ' VAL . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 71.31 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.1 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 65' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.31 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.34 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.52 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.23 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.503 HE21 HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.02 110.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 73.4 109.308 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.44 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 70.34 110.274 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 52.12 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CD1' HD13 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.34 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.13 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 88' ' ' ALA . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.51 109.332 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.815 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.24 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.597 ' HB2' HG23 ' A' ' 100' ' ' ILE . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.12 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 62.53 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 62.14 109.292 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 64.24 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.415 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.41 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 73.13 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 73.23 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.12 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 43.12 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.909 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.23 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 108' ' ' VAL . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.32 110.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 62.44 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.971 ' HA ' HD12 ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.32 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.52 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 112' ' ' ILE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.41 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.971 HD12 ' HA ' ' A' ' 106' ' ' LYS . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.24 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 60.21 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.04 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 HD22 ' HE2' ' A' ' 12' ' ' PHE . 8.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 70.4 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 64.13 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.55 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 64.12 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 65.3 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 62.54 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 50.21 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.13 110.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ3' ' HZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.45 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 52.42 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 64.11 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.23 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.01 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.42 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HD11 ' A' ' 109' ' ' LEU . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.43 110.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.23 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' NZ ' HG21 ' A' ' 34' ' ' THR . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 74.44 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.12 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.51 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.13 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 52.1 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 71.2 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.14 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 62.41 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 22.12 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.44 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 63.45 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.3 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.12 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 72.34 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.51 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.998 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.14 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.14 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.44 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 64.22 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 34.13 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 72.23 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.32 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.967 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.24 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.4 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 42.42 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.31 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.33 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.22 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.33 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.42 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG3' HG12 ' A' ' 48' ' ' VAL . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.33 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.03 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.33 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 63' ' ' ILE . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.03 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 65.13 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' OE1' ' A' ' 67' ' ' GLU . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.2 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.1 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.33 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.33 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.01 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.51 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.609 HG23 HG21 ' A' ' 55' ' ' ILE . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.44 109.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.51 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.787 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 63.42 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.12 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 57' ' ' VAL . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.44 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 64.32 110.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.04 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.3 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.34 109.331 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.15 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.595 ' OG ' HD11 ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 62.12 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.03 110.318 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 70.24 110.296 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HG ' HD12 ' A' ' 71' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 70.13 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 64.11 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.974 ' N ' HD13 ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.24 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.11 109.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 100' ' ' ILE . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.43 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' NZ ' ' HA2' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 64.34 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.694 HG13 ' CD1' ' A' ' 92' ' ' PHE . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 70.25 109.348 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.831 ' CD1' HG23 ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 71.44 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB2' HG23 ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.22 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.33 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.55 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 51.42 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.13 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 71.3 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.4 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.1 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.23 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 55.54 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.13 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 62.34 109.341 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' A' ' 18' ' ' LEU . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 71.24 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.33 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.831 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 62.14 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.41 109.301 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 61.02 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 61.44 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 72.25 109.319 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' HE2' ' A' ' 12' ' ' PHE . 6.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.291 -0.633 . . . . 61.33 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.52 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.01 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.4 110.277 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.4 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.44 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.43 109.258 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.41 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.01 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 72.32 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.673 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.01 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.23 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.1 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.45 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.13 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD21 ' A' ' 109' ' ' LEU . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 74.42 111.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.5 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 64.42 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 54.21 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.11 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.51 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 74.23 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.44 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.23 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.24 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.22 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.04 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD22 ' SD ' ' A' ' 52' ' ' MET . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.22 109.257 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.22 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.54 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 71.51 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.877 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.01 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.22 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 52.12 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.53 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' HD23 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.14 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 33.13 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.41 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.05 111.044 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.14 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.01 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.15 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 44' ' ' SER . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.13 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.32 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.41 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.15 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.667 ' SD ' HD22 ' A' ' 32' ' ' LEU . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 71.04 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.54 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 54.52 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 63.3 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 54.42 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 62.43 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 51.25 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 43.24 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 65.03 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 70.22 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.34 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD12 HG22 ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 64.14 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.15 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.711 ' O ' HD13 ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 71.32 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.22 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 55.44 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 71' ' ' LEU . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 51.45 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 70.12 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 61.02 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 71.44 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.4 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.13 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ALA . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.21 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.595 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.2 mp0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.12 110.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 74.42 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.673 HD23 ' C ' ' A' ' 86' ' ' LEU . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 64.13 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.44 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.12 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.22 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 51.51 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG13 ' HD1' ' A' ' 92' ' ' PHE . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.1 109.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.772 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 70.23 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.552 ' HB2' HG23 ' A' ' 100' ' ' ILE . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.34 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.15 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 52.23 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.45 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.3 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.13 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.54 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.31 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.52 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.02 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 70.2 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.3 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 44.44 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.31 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.43 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 19' ' ' PHE . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 71.12 109.34 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 42.42 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.12 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 64.34 109.283 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.971 -0.381 . . . . 51.0 109.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -109.35 14.75 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 54.45 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -137.22 155.31 49.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.4 109.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' OE1' ' A' ' 8' ' ' GLN . 7.4 mt -78.39 126.86 31.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 53.35 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -120.64 167.09 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 72.33 110.413 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.17 -31.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 65.41 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.65 -58.73 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.02 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.601 ' OE1' HD23 ' A' ' 4' ' ' LEU . 27.5 mt-30 -52.61 -49.24 65.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.22 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.739 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 67.8 mt -57.78 -43.66 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 64.32 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -28.61 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 52.22 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.79 -31.43 28.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.31 110.355 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.865 ' CD2' HD21 ' A' ' 69' ' ' LEU . 19.0 m-85 -72.9 -29.12 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.175 . . . . 70.14 110.988 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -53.05 -21.34 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 63.5 109.268 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' HD22 ' A' ' 18' ' ' LEU . 3.2 mt-10 -90.34 -65.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.23 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.35 -32.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 65.13 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 27' ' ' ILE . 3.8 t80 -72.03 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.14 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -46.04 -40.14 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 71.01 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.3 mm? -56.47 -40.17 74.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 70.02 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.055 ' CE2' HD21 ' A' ' 109' ' ' LEU . 50.7 m-85 -92.37 -9.87 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 73.31 111.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 1.9 t0 -102.77 117.05 33.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 65.3 109.317 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' NZ ' ' HB ' ' A' ' 34' ' ' THR . 3.7 mmtp -82.75 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.646 1.689 . . . . 74.43 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -71.93 -4.0 25.82 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.882 -1.056 . . . . 73.41 109.98 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 49.85 57.59 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 61.23 109.258 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.4 p-10 -102.85 -26.88 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.41 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.82 -24.85 11.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 50.54 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.32 128.59 55.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 0.8 . . . . 73.33 109.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 16' ' ' PHE . 11.2 mt -108.01 143.03 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 75.11 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.4 p -116.04 145.37 43.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.33 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -39.72 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 74.31 110.031 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 44.5 t -65.82 -52.06 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 53.53 109.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.5 mt-10 -69.5 -46.18 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.24 110.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -45.24 76.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 33.31 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.37 -36.41 82.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.42 109.307 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' HB ' ' NZ ' ' A' ' 21' ' ' LYS . 32.3 m -60.17 -22.83 63.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 53.14 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 31' ' ' GLU . 2.2 t -81.61 -42.53 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 73.33 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 40.8 mmm -63.28 -50.75 68.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 65.52 111.021 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -50.76 -24.14 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.55 110.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 t -88.08 -27.22 22.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 54.32 109.982 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 112' ' ' ILE . 4.3 mt -65.53 -68.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 54.24 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -40.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.095 . . . . 63.22 110.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.7 pt? -92.27 166.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 74.14 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -133.18 90.21 31.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.52 109.985 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.48 26.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 62.23 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.4 m -80.04 146.8 31.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 62.42 110.001 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.21 -55.92 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 63.21 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -29.53 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.5 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.79 -25.51 53.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.34 110.35 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 44' ' ' SER . 7.5 t -79.79 -46.02 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 70.21 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -49.04 -30.5 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 75.31 109.265 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.3 -39.69 95.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.55 109.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.5 mt -80.67 -31.29 36.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 75.24 109.335 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.604 ' HE1' HG12 ' A' ' 63' ' ' ILE . 56.0 mmm -76.09 -17.42 59.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 73.12 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.51 -47.81 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 75.44 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.8 -56.22 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 64.1 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.008 HG22 HD12 ' A' ' 63' ' ' ILE . 14.5 mt -57.76 -26.34 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.8 124.92 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.55 109.294 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -92.18 -24.41 5.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.573 1.654 . . . . 64.54 109.289 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -120.82 -20.52 6.94 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.909 -1.044 . . . . 73.12 110.01 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 43.84 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 64.35 111.019 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.9 p-10 -90.34 -9.3 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 74.41 109.293 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 5.0 t-160 75.02 36.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.41 109.636 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' C ' HD13 ' A' ' 63' ' ' ILE . 30.8 mt-30 -150.68 139.28 20.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.31 110.256 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HG22 ' A' ' 55' ' ' ILE . 8.9 mm -102.56 116.93 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 73.45 109.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.96 156.96 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 65.12 110.278 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.739 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.3 t80 -57.7 -20.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.13 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -88.15 -42.29 12.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 53.45 109.988 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.646 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -63.48 -56.48 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 73.42 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' ILE . 37.1 t80 -44.28 -49.49 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 73.23 110.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' CD2' ' A' ' 12' ' ' PHE . 7.5 mp -69.55 -27.84 65.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 70.45 109.374 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -57.95 -35.41 71.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.55 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 HG12 ' A' ' 55' ' ' ILE . 32.3 mt -51.85 -22.18 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.44 109.347 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HE3' ' HA ' ' A' ' 69' ' ' LEU . 3.9 mtm -98.63 -22.1 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 72.05 110.965 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -84.39 -20.57 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 62.41 110.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -38.98 -43.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.34 110.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 75' ' ' GLN . 2.1 mp0 -55.49 140.58 39.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.31 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 77' ' ' LYS . 1.4 tm? -174.58 150.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 65.23 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.652 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.57 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 70.31 109.291 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -79.23 147.86 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.51 109.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 79' ' ' ASN . 1.1 m-80 -90.47 85.33 6.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 53.33 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -112.12 17.83 19.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 53.23 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 p -163.36 148.42 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 74.14 110.0 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -47.21 116.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.11 110.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -104.13 -11.01 17.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 72.33 110.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.5 -15.54 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.23 110.282 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.93 -29.75 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.43 109.31 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -70.85 -15.76 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 52.01 109.268 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.897 ' OE1' HD11 ' A' ' 121' ' ' LEU . 7.2 mm-40 -76.29 -34.34 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 75.54 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 91' ' ' VAL . . . -74.38 -40.6 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 75.33 109.266 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 11.4 m-85 -84.25 11.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.24 110.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.797 ' HG2' HD22 ' A' ' 121' ' ' LEU . 6.7 tptp -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.15 109.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 92' ' ' PHE . 3.4 m -48.55 -33.9 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 61.44 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 108' ' ' VAL . 10.3 m-30 -71.78 -30.51 65.62 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 123.597 1.665 . . . . 65.12 110.964 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.646 ' HB2' HG23 ' A' ' 100' ' ' ILE . 8.1 t0 -90.7 80.84 5.87 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.928 -1.034 . . . . 74.21 110.013 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -14.5 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.15 109.292 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.9 p30 -83.89 3.42 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 61.44 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.96 68.41 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.147 . . . . 53.11 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -109.67 -20.5 12.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 74.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.29 -7.31 79.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 60.1 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 72' ' ' MET . 5.5 tp -137.29 137.39 38.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 73.43 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 ' HB2' ' A' ' 92' ' ' PHE . 1.4 pt -115.2 145.85 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.11 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 m -114.6 -175.32 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 52.41 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -70.35 -47.26 61.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.35 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -60.77 -21.38 62.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 55.42 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' OE2' HG22 ' A' ' 100' ' ' ILE . 6.5 tt0 -88.97 -36.77 15.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 63.2 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 92' ' ' PHE . 1.6 tt -74.22 -25.83 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.23 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.775 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.8 tttt -87.46 -30.84 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 73.05 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 6.3 m-70 -75.25 -34.04 61.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.12 109.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.74 -41.96 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 51.4 109.285 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.055 HD21 ' CE2' ' A' ' 19' ' ' PHE . 3.9 mt -40.86 -29.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.1 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -106.61 -38.36 6.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 72.51 110.436 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -58.95 -16.14 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.11 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.558 ' HA ' HD11 ' A' ' 116' ' ' LEU . 8.7 mt -43.87 163.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.34 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 116' ' ' LEU . . . 162.34 157.2 8.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 24.12 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -43.98 -38.24 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 0.729 . . . . 64.23 110.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -71.66 69.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 63.32 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 113' ' ' GLY . 6.7 mt -151.49 142.53 23.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.35 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' LEU . 3.0 p -156.14 159.11 38.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.31 110.413 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.403 ' OD1' HG11 ' A' ' 91' ' ' VAL . 83.9 m-20 -93.65 11.25 29.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 72.43 109.299 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.25 15.17 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 35.14 109.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.2 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.52 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.897 HD11 ' OE1' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -115.55 -38.59 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 53.44 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -38.98 99.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.3 110.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 42.3 m170 -45.1 -62.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 71.11 109.645 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.462 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 1.8 p-80 -103.76 137.97 41.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 72.11 109.567 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -71.34 117.32 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.11 109.598 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -44.71 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 75.25 109.578 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -101.73 79.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 73.23 109.615 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.23 109.555 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.968 -0.382 . . . . 73.42 109.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -122.53 158.97 28.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 72.22 110.016 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.27 6.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 62.13 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD22 ' CE2' ' A' ' 12' ' ' PHE . 9.3 mt -58.14 139.01 55.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 73.55 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -119.54 177.32 4.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 74.01 110.372 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.47 -43.8 89.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 72.43 110.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -51.67 -52.07 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 61.34 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' GLU . 2.4 mm100 -57.87 -54.19 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.33 110.33 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.4 mt -45.1 -47.51 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.12 109.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.81 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 45.23 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLN . 26.6 mm-40 -67.08 -51.38 55.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 71.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 4' ' ' LEU . 21.0 m-85 -55.28 -37.43 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 72.14 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -53.82 -25.53 19.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.2 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.652 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.4 mt-10 -92.97 -65.6 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.51 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -44.95 -26.88 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.25 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 27' ' ' ILE . 58.5 t80 -81.98 -40.16 22.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.42 111.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -68.13 -18.26 64.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 75.51 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.2 mp -67.85 -33.0 73.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 64.14 109.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CE1' HD21 ' A' ' 109' ' ' LEU . 30.4 m-85 -93.06 -38.27 11.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 72.33 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.5 t70 -70.56 144.73 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 75.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' NZ ' HG21 ' A' ' 34' ' ' THR . 20.9 mmtt -84.24 -61.48 1.8 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.595 1.664 . . . . 74.41 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -94.05 2.74 55.98 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 117.844 -1.074 . . . . 54.44 109.951 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 62.0 t-20 48.08 61.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 54.11 109.344 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -94.45 -16.47 23.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 52.25 109.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 0.04 32.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 74.43 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.51 121.91 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 60.45 109.967 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 16' ' ' PHE . 38.2 mt -105.41 132.0 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.1 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -106.54 171.47 7.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.995 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.697 ' HB3' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -72.66 -19.52 61.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.983 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 m -85.47 -25.03 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.02 110.039 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.4 mt-10 -84.18 -32.53 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 74.22 110.253 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.31 -53.42 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 74.44 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.8 -45.88 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 32.33 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -51.31 -40.95 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 43.4 110.371 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' LEU . 10.0 t -69.2 -32.86 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.42 109.293 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.777 ' CE ' HD21 ' A' ' 41' ' ' LEU . 70.3 mmm -64.08 -58.46 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 52.14 110.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.7 ptp180 -48.02 -26.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 64.22 110.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -79.25 -49.19 12.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 54.13 109.981 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -50.69 -60.93 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 73.13 109.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.65 -33.5 0.11 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 73.3 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' CE ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -94.6 160.04 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 73.1 109.267 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -139.28 92.42 10.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 73.12 109.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 65.03 110.976 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.883 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -72.71 144.28 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.34 110.001 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -45.01 -54.24 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 72.23 110.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -27.1 68.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 53.53 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.0 tt0 -80.07 -25.05 40.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.01 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 44' ' ' SER . 7.9 t -81.6 -43.93 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 71.21 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.81 -18.53 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 74.44 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.7 t70 -82.66 -62.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 62.13 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.7 mt -51.97 -54.09 33.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 62.12 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.1 mmm -59.56 -15.19 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.03 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 3.1 t-20 -70.08 -31.12 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 73.24 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.63 -36.56 82.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 44.3 110.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.714 HG22 HD12 ' A' ' 63' ' ' ILE . 23.9 mt -82.8 -18.35 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 50.24 109.305 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.12 127.98 32.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 54.34 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -92.2 -31.3 4.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-O 123.629 1.681 . . . . 63.44 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -111.42 -20.53 12.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.953 -1.022 . . . . 64.01 109.996 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.57 42.22 7.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.474 1.109 . . . . 73.0 110.991 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.9 p-10 -90.83 -14.72 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 73.11 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.1 m-70 81.45 37.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 75.41 109.585 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mt-30 -154.04 120.55 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.41 110.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.714 HD12 HG22 ' A' ' 55' ' ' ILE . 6.5 mm -84.02 119.21 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 72.24 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.47 154.43 32.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.03 110.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' O ' HD13 ' A' ' 69' ' ' LEU . 27.4 t80 -54.85 -22.73 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 71.53 110.943 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -88.03 -37.75 16.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 74.02 109.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 56.4 mt-10 -66.39 -52.51 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.53 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.511 ' CD2' ' HE1' ' A' ' 72' ' ' MET . 64.1 t80 -49.41 -53.84 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.22 110.965 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 65' ' ' PHE . 8.1 mp -57.12 -29.13 63.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.12 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -55.93 -32.94 64.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.2 109.264 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt -61.05 -28.58 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 72.41 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.588 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.0 mtm -99.01 -2.52 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 72.42 110.941 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m -89.87 -3.55 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 73.32 110.023 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -105.77 -170.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.998 ' O ' HD12 ' A' ' 99' ' ' LEU . 6.6 mt-30 64.92 24.53 12.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 44.22 110.281 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 mp -96.78 -179.48 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.44 109.264 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.01 132.88 35.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 75.25 109.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p 42.67 41.22 2.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 64.32 110.03 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -63.17 -26.08 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.24 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.43 50.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 64.13 109.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -156.38 173.83 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 63.12 109.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.25 134.54 39.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 64.52 110.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -126.13 19.87 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 72.04 110.278 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.08 -7.82 31.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.53 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.9 tm? -76.21 -43.94 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.03 109.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.09 -42.74 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 64.33 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.518 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.4 mt-10 -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 71.21 110.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.28 -12.48 30.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.44 109.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -117.87 23.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 74.12 111.021 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.762 ' HE3' HD13 ' A' ' 121' ' ' LEU . 3.2 tptp -72.53 -21.4 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 55.41 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.27 -27.6 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 74.44 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 1.207 ' CD2' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -78.11 -31.28 49.92 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 123.634 1.683 . . . . 64.02 110.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 14.2 t0 -97.98 104.23 16.25 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 117.95 -1.024 . . . . 74.54 110.01 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -90.93 -14.34 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 74.1 109.33 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -90.31 16.29 8.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 74.22 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 38.63 60.67 1.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 74.31 111.008 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.7 -21.71 12.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 73.14 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 88.96 -23.29 18.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 53.32 111.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 75' ' ' GLN . 6.5 tt -115.1 166.44 11.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 73.33 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.842 ' N ' HD23 ' A' ' 99' ' ' LEU . 3.8 pt -142.1 139.24 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 73.04 109.296 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.5 m -100.41 177.66 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 61.24 110.023 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -64.65 -48.86 73.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 62.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.02 -54.91 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.11 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.653 ' OE1' HG22 ' A' ' 100' ' ' ILE . 33.8 tt0 -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.43 110.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -68.83 -42.02 77.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 64.24 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 81.0 tttt -73.27 -33.91 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 70.1 109.335 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 110' ' ' THR . 23.3 m170 -73.74 -15.82 61.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 62.53 109.594 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.207 HG21 ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -48.14 -27.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 62.02 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD21 ' CE1' ' A' ' 19' ' ' PHE . 1.3 mt -71.27 -42.54 68.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 71.42 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -74.96 -1.71 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 61.41 110.399 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.0 m -75.47 -1.67 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 74.42 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.664 HG13 HD23 ' A' ' 39' ' ' LEU . 7.5 mt -42.78 163.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 74.14 109.337 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 156.9 -139.0 6.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 72.04 111.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.602 ' O ' HD22 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -123.62 -61.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 65.14 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -59.72 113.81 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 72.23 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 117' ' ' THR . 1.2 pt? -175.41 113.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 62.11 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.2 p -158.98 -175.35 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.3 110.43 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.74 -8.44 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.15 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.16 5.32 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 34.32 109.291 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -39.32 -58.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 75.21 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.762 HD13 ' HE3' ' A' ' 90' ' ' LYS . 1.4 pt? -115.53 -38.75 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.02 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -56.71 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 75.41 110.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -80.14 -15.06 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 75.32 109.545 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -89.53 14.83 10.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 75.53 109.586 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -89.1 89.98 8.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 53.02 109.587 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -111.77 -51.71 2.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.45 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 23.7 p-80 -63.39 112.98 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 63.44 109.59 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.5 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 61.22 109.576 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.991 -0.374 . . . . 73.31 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.1 p -87.49 -38.76 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 75.44 109.986 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 4' ' ' LEU . 28.6 t30 -64.22 160.02 19.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.51 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mt -92.35 135.52 33.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 70.1 109.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -123.45 172.78 8.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 73.41 110.397 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.6 pt-20 -48.71 -33.66 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 65.5 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -64.24 -56.73 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 75.03 110.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 33.4 mt-30 -52.02 -38.61 57.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.14 110.31 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG23 ' CE1' ' A' ' 65' ' ' PHE . 63.5 mt -63.86 -40.09 87.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 71.03 109.247 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.23 -18.56 64.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 71.01 109.316 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.96 -42.3 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.01 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 18.3 m-85 -65.82 -26.11 67.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 73.14 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -60.78 -24.11 65.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.1 109.29 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.3 mt-10 -92.89 -56.56 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 64.12 110.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.57 -47.05 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 75.05 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 4.6 t80 -65.33 -28.53 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 111.008 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -75.5 -26.51 58.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 52.24 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.724 HD23 HD13 ' A' ' 109' ' ' LEU . 11.3 mp -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 64.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' HD21 ' A' ' 109' ' ' LEU . 14.2 m-85 -86.69 -49.85 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 74.14 111.025 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t0 -57.91 125.43 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 75.34 109.308 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -87.4 -65.28 1.03 Allowed 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.611 1.672 . . . . 74.33 109.335 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.3 p30 -74.63 -6.04 46.4 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.914 -1.041 . . . . 63.33 109.979 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 84.1 m-20 59.32 55.95 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 71.11 109.322 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.2 p30 -89.72 -26.16 20.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 74.23 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 115.0 -17.02 17.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 63.22 110.986 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.87 154.02 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 63.22 110.039 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.8 mt -122.31 142.39 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 74.13 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.91 156.0 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.42 110.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -52.05 -28.88 18.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.04 109.981 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 31' ' ' GLU . 7.2 p -72.19 -62.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 71.31 109.965 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' OG ' ' A' ' 30' ' ' SER . 50.0 mt-10 -59.83 -20.26 55.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.34 110.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.67 -51.43 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.22 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -60.14 -39.71 87.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.21 109.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.1 m -55.26 -25.2 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 60.23 110.395 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.25 -37.32 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 70.12 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.936 ' SD ' HD21 ' A' ' 41' ' ' LEU . 3.7 mmt -60.94 -47.77 84.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.55 110.957 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.8 ptm180 -48.57 -30.01 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 73.42 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -72.02 -50.7 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.02 109.973 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 36' ' ' MET . 3.6 mp -46.4 -60.09 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 71.12 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.43 -27.89 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 71.53 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.936 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -85.81 160.07 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 51.35 109.333 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -128.06 87.48 55.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 54.05 110.017 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.75 27.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 73.43 111.008 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -91.22 140.65 29.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 64.34 109.968 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -41.29 -28.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.18 -49.65 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 44.12 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.3 mm-40 -58.92 -34.88 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 63.3 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 44' ' ' SER . 2.6 t -71.88 -49.71 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 54.3 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -46.5 -28.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.43 109.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -69.73 -43.72 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 70.14 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' VAL . 4.2 mt -69.0 -41.95 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.33 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.641 ' HE1' HG12 ' A' ' 63' ' ' ILE . 76.3 mmm -65.84 -29.89 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 72.14 110.966 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.62 -51.43 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 74.44 109.301 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -65.61 -55.56 16.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 75.53 110.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.045 HG22 HD12 ' A' ' 63' ' ' ILE . 19.4 mt -54.31 -25.88 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 74.11 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 52' ' ' MET . 4.8 m-20 -77.92 127.41 32.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 74.21 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.18 -25.76 5.07 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.606 1.669 . . . . 52.13 109.278 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.79 -20.47 6.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.942 -1.027 . . . . 72.23 109.983 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.18 50.5 3.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.465 1.103 . . . . 50.34 110.978 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 53.5 p-10 -99.73 -15.84 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 43.24 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 4.8 t-80 82.0 37.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.4 109.644 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.552 ' C ' HD13 ' A' ' 63' ' ' ILE . 26.8 mt-30 -150.29 141.4 23.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 73.32 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.045 HD12 HG22 ' A' ' 55' ' ' ILE . 9.4 mm -108.75 124.88 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.41 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -102.98 158.95 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 74.34 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.7 t80 -46.04 -31.94 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.33 111.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -72.19 -41.86 66.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 74.21 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 39.4 mt-10 -68.2 -57.95 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.45 110.321 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -46.63 -40.01 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 72.55 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD21 ' HD2' ' A' ' 12' ' ' PHE . 8.8 mp -76.61 -29.51 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 75.21 109.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.18 -39.81 87.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 61.31 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 89' ' ' PHE . 16.1 mt -47.44 -31.07 3.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 75.23 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 12' ' ' PHE . 17.1 mtm -88.3 -35.64 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.41 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -86.64 9.42 18.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.11 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' ALA . 10.1 mtt85 -90.31 -20.37 22.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 74.43 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.709 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.55 152.04 49.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.31 110.28 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' LEU . 1.2 tm? 56.29 51.45 11.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 71.43 109.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' ASP . 13.8 mmmt -135.52 98.95 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.43 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.42 36.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 74.52 110.033 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 18.4 t30 64.34 53.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.4 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' LYS . 10.9 t0 -44.22 137.47 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 75.24 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m -57.84 -46.03 85.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.34 109.998 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -80.81 109.81 15.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 71.05 110.334 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -124.36 7.17 8.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 75.2 110.335 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -75.83 -35.16 60.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 73.41 110.317 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.5 tm? -88.1 9.37 22.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.53 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -91.81 -41.84 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 75.54 109.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.613 ' HB3' HD21 ' A' ' 121' ' ' LEU . 11.0 mt-10 -88.59 -15.79 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 64.33 110.345 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.19 -6.15 55.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 44.31 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 1.5 t80 -126.63 21.8 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 61.12 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 121' ' ' LEU . 8.7 tttp -89.24 -17.42 29.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 72.04 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -40.09 -30.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.44 109.319 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 7.9 m-30 -73.07 -49.66 27.31 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 123.637 1.684 . . . . 71.22 111.021 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 24.1 t0 -66.67 104.74 1.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.936 -1.029 . . . . 62.44 109.939 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -91.01 -14.6 31.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 70.35 109.278 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 2.1 p30 -86.82 10.51 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.1 109.302 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 43.95 67.15 1.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 52.44 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 3.4 t0 -121.97 1.54 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.727 . . . . 71.43 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.68 33.81 42.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 15.24 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 75' ' ' GLN . 13.6 tp -160.06 147.79 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 65.44 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' OE1' ' A' ' 104' ' ' GLU . 2.1 pt -138.85 126.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 73.35 109.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -95.37 -174.99 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 51.12 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.91 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -66.95 -33.53 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 72.42 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -74.42 -25.44 59.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 63.04 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' OE1' HG22 ' A' ' 100' ' ' ILE . 4.1 tt0 -82.0 -39.34 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 64.21 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -61.28 -47.05 87.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 72.12 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -63.45 -21.33 66.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.04 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 9.1 m-70 -82.91 -15.9 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 75.54 109.621 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 64.02 109.29 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.724 HD13 HD23 ' A' ' 18' ' ' LEU . 1.9 mt -67.86 -16.71 64.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 44.42 109.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -106.29 -4.25 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.42 110.372 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.3 t -66.23 -67.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 52.25 110.003 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.567 HD13 HD23 ' A' ' 39' ' ' LEU . 4.6 mm 65.35 10.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 63.44 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -41.48 115.69 0.82 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 62.43 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -36.91 -85.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 74.11 110.292 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -134.25 139.68 45.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 63.1 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.644 ' HB2' HG23 ' A' ' 91' ' ' VAL . 5.2 mt -145.19 128.94 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.4 109.268 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.5 p -110.29 -173.91 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 62.53 110.38 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -22.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.13 109.328 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.08 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 51.42 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.71 -46.89 77.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 73.33 110.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.721 ' H ' HD23 ' A' ' 121' ' ' LEU . 2.0 pt? -108.66 -45.51 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.45 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' CG ' ' CD ' ' A' ' 87' ' ' GLU . 70.4 mt-10 -38.9 110.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 74.03 110.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -123.86 -43.29 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 73.15 109.56 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -115.35 -173.48 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 75.13 109.581 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -105.09 -72.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 73.13 109.57 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -40.04 124.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 72.31 109.624 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.21 -31.64 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.34 109.627 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.11 109.596 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.971 -0.381 . . . . 63.13 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -99.85 -28.8 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 53.45 110.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.32 124.77 44.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 75.32 109.291 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 73' ' ' SER . 6.6 mp -49.15 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 72.23 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -96.57 156.88 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.1 110.381 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.3 pt-20 -49.82 -22.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 53.43 110.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.05 -63.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.1 110.307 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -49.77 -45.6 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 70.13 110.325 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.702 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 61.3 mt -65.9 -54.62 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.45 109.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -43.84 -27.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 55.44 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -79.45 -51.94 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 74.33 110.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 21.5 m-85 -62.8 -13.69 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 62.24 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 21.4 mttt -57.58 -29.82 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 74.45 109.314 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.559 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.98 -56.51 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 71.13 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.52 -29.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 64.54 109.339 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t80 -81.14 -51.78 8.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.13 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.23 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 70.42 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.591 HD23 HD13 ' A' ' 109' ' ' LEU . 11.2 mp -72.58 -35.59 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 64.43 109.34 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.016 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.4 m-85 -89.33 -9.16 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 63.12 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.8 t70 -92.95 136.33 33.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 52.21 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -82.76 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.591 1.662 . . . . 75.23 109.306 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -83.61 -5.19 59.11 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.949 -1.024 . . . . 55.12 109.994 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 54.9 t30 60.55 54.13 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 72.41 109.29 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p-10 -93.57 -28.94 15.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 73.21 109.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.75 -22.16 13.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 63.14 110.993 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 124.89 52.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 54.2 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.439 HG13 ' CE1' ' A' ' 16' ' ' PHE . 16.3 mt -97.63 145.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 72.13 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' LEU . 53.2 p -115.9 157.41 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 50.5 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -45.24 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 71.52 109.966 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -62.11 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 52.45 110.003 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 49.0 mt-10 -58.71 -17.43 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 73.22 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD12 ' SD ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -77.72 -58.05 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 51.42 109.312 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -21.14 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 53.04 109.287 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.84 -37.57 84.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 70.35 110.399 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.974 HG11 ' CE2' ' A' ' 19' ' ' PHE . 21.2 t -72.93 -34.64 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 74.52 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 1.8 mmt -62.11 -57.01 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 62.01 111.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.5 ptm180 -46.87 -31.51 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 72.14 110.279 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -71.55 -45.59 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 73.41 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 35' ' ' VAL . 2.3 mp -59.86 -72.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.41 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.08 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 73.34 110.977 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD12 ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -168.67 162.01 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 62.45 109.271 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.3 p -144.08 95.51 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 53.43 109.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.1 Cg_endo -75.0 140.53 25.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 75.25 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.7 m -68.33 153.11 44.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 50.11 109.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 9.0 pt-20 -47.07 -46.6 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 75.24 110.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -68.37 -25.96 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.32 109.317 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' SER . 94.2 mt-10 -82.94 -22.87 33.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 64.44 110.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' SER . 12.9 t -85.39 -41.51 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 51.25 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -57.44 -32.09 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 72.25 109.311 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.6 -51.37 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 63.22 109.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -65.98 -21.18 66.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.346 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.78 ' SD ' HD12 ' A' ' 32' ' ' LEU . 25.4 mmm -90.2 -13.96 34.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.25 110.98 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -74.02 -25.65 60.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.3 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.0 pt-20 -77.49 -32.84 54.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.32 110.345 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.958 HG12 HD22 ' A' ' 71' ' ' LEU . 46.7 mt -90.14 -14.69 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 75.21 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -85.4 122.85 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.5 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.16 -23.98 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.615 1.674 . . . . 61.51 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.5 p30 -118.84 -19.03 8.75 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.907 -1.044 . . . . 73.1 110.011 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 45.28 6.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 75.01 111.016 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.0 p-10 -95.01 -9.89 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.11 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER 73.87 38.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.33 109.572 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.516 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.7 mt-30 -145.81 129.28 16.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 62.21 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 55' ' ' ILE . 6.4 mm -100.71 119.5 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 75.11 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.14 171.08 10.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.24 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 7.9 t80 -67.0 -22.49 65.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.54 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -39.29 15.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.51 110.005 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 58.6 mt-10 -70.13 -40.55 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.44 110.246 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HA ' HD21 ' A' ' 71' ' ' LEU . 19.5 t80 -56.86 -37.11 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 73.13 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 12' ' ' PHE . 5.7 mp -82.31 -13.39 57.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 72.23 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -61.08 -43.29 99.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 62.23 109.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.958 HD22 HG12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -74.14 -33.03 63.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 72.24 109.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 9.3 mtm -82.2 -3.29 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 54.31 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 4' ' ' LEU . 33.5 p -112.21 -19.87 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.24 109.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -58.32 -35.05 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 63.23 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.2 mp0 -64.36 -53.24 51.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 75.14 110.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 76.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.33 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -171.55 121.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 53.34 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -90.74 88.69 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 71.12 109.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.28 139.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.99 97.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.44 109.331 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 m -145.13 -176.9 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 72.23 109.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 13.0 tt0 -58.37 121.79 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 65.05 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -129.01 13.9 6.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 70.12 110.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.11 -9.34 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.54 110.29 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -72.9 -53.7 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 71.14 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 87' ' ' GLU . 2.5 pp -40.45 -29.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 54.44 109.275 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.975 ' HA ' HD21 ' A' ' 121' ' ' LEU . 7.2 mt-10 -65.89 -57.81 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.43 110.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.44 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 60.35 109.261 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.97 26.79 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.4 111.01 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.865 ' HG2' HD22 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -83.3 -31.19 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 61.24 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -40.52 -37.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 41.12 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.849 ' HB3' HG11 ' A' ' 108' ' ' VAL . 13.8 m-30 -66.23 -52.69 45.38 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.673 1.702 . . . . 71.53 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 1.5 t0 -58.16 108.44 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.835 -1.079 . . . . 64.51 110.002 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -91.63 -24.66 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 70.41 109.288 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 19.0 p-10 -90.98 19.03 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 74.3 109.332 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . 36.26 59.0 1.01 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 75.13 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -22.42 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 63.33 109.347 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 90' ' ' LYS . . . 92.03 -29.85 7.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 54.35 111.033 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 3.8 tp -89.08 141.0 28.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 61.41 109.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 92' ' ' PHE . 2.8 pt -131.3 119.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.21 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 m -98.26 -173.02 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 73.44 110.003 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.9 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 63.11 109.289 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.18 -22.88 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.43 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 1.036 ' O ' HG13 ' A' ' 108' ' ' VAL . 12.7 tt0 -86.07 -47.97 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.4 110.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.2 tt -58.13 -19.31 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.02 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 109' ' ' LEU . 29.5 tttm -92.29 -24.14 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -86.86 -15.88 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 65.22 109.573 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.036 HG13 ' O ' ' A' ' 104' ' ' GLU . 3.7 m -80.39 -27.61 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 61.03 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.016 HD21 ' CE1' ' A' ' 19' ' ' PHE . 9.5 mt -53.62 -24.31 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -106.89 -18.23 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 74.13 110.378 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ILE . 23.5 m -69.75 -7.11 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 51.33 109.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 1.3 mp -40.05 146.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 61.34 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.87 -143.47 3.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 25.23 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -86.65 176.1 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 54.43 110.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -55.47 117.42 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 75.34 109.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.756 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.8 OUTLIER -111.74 153.04 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 73.24 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -101.47 -174.14 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.31 110.428 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.87 3.31 47.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 65.53 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 123' ' ' HIS . . . -90.66 15.55 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.54 109.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -53.53 -61.0 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.13 110.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -104.76 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 62.53 109.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.51 -25.21 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 71.02 110.284 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 20.9 m-70 -146.77 154.57 41.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 64.31 109.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -76.72 -14.54 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 70.41 109.604 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -64.48 124.13 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 62.34 109.612 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -126.92 105.16 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.33 109.56 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.35 97.83 10.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.24 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.13 109.583 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.995 -0.372 . . . . 75.23 109.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -95.47 60.19 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 71.21 110.045 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -92.01 112.81 24.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 62.34 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 12' ' ' PHE . 12.1 mt -96.08 128.61 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 74.23 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.586 ' C ' HD12 ' A' ' 9' ' ' ILE . 11.9 p -124.25 171.12 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 74.02 110.405 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -45.75 -38.45 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.4 110.337 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 31.0 mm-40 -57.52 -66.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 73.03 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' GLU . 9.6 mm-40 -52.99 -58.1 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.53 110.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.763 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 12.6 mt -40.27 -33.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.21 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -52.72 -51.14 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.54 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' GLN . 27.4 mt-10 -61.48 -47.06 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 70.42 110.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.867 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 62.5 m-85 -52.36 -45.53 65.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 74.13 110.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.763 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 10.1 mtmm -49.38 -25.49 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 51.14 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.4 mt-10 -92.76 -65.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 63.04 110.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.4 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.31 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 74.21 109.338 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -79.64 -50.0 11.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 75.21 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.15 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.01 109.281 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.993 HD23 ' CD1' ' A' ' 109' ' ' LEU . 2.7 mp -47.58 -33.85 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.41 109.318 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 35' ' ' VAL . 26.1 m-85 -91.23 -50.49 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 72.34 110.986 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.75 136.73 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.21 109.327 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.744 ' NZ ' HG22 ' A' ' 34' ' ' THR . 19.8 mmtt -83.44 -64.86 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.627 1.68 . . . . 72.04 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -85.7 -4.65 59.22 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.911 -1.042 . . . . 74.42 109.926 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 63.07 50.02 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 52.33 109.31 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.5 p30 -91.08 -29.28 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 75.35 109.332 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.97 -22.78 12.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 63.12 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.97 122.02 46.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 43.15 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.7 mt -104.03 144.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.21 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -113.97 155.66 25.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.11 109.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -49.06 -30.14 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.15 109.995 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.12 -63.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 75.01 109.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.38 -26.51 30.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -73.67 -57.37 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 63.44 109.327 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -51.77 -31.17 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 55.54 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.744 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 15.7 m -66.66 -33.24 75.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 63.3 110.417 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 5.1 t -74.88 -35.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 54.44 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.816 ' CE ' HD21 ' A' ' 41' ' ' LEU . 52.7 mmm -66.07 -56.52 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 74.41 111.046 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 34' ' ' THR . 11.5 ptp180 -41.91 -30.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.44 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.39 -56.56 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 51.44 109.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.1 mp -42.47 -57.05 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 75.11 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.1 -29.27 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 32.12 110.987 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 36' ' ' MET . 2.1 pt? -98.59 163.21 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 74.23 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -142.81 93.55 6.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.43 110.015 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 70.52 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -74.24 146.97 42.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 73.33 109.973 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -42.81 -52.55 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 54.43 110.294 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.15 77.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 30.33 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.0 tp10 -71.52 -24.08 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 62.34 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 44' ' ' SER . 11.3 t -82.33 -42.45 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 70.32 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.06 -27.09 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.24 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -73.38 -59.73 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 74.43 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -59.6 -21.81 60.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.1 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.452 ' HE3' HD11 ' A' ' 63' ' ' ILE . 72.8 mmm -90.09 -13.5 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 45.31 110.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.61 -29.06 61.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 72.13 109.269 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' HG13 ' A' ' 55' ' ' ILE . 9.7 pt-20 -77.01 -38.26 53.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.23 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.764 HG22 HD12 ' A' ' 63' ' ' ILE . 9.9 mt -80.19 -20.68 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 72.01 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.79 124.33 31.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 72.5 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -92.23 -24.53 5.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.637 1.684 . . . . 74.23 109.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.1 p30 -120.12 -19.89 7.6 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.883 -1.056 . . . . 65.23 109.982 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.97 43.6 7.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 61.54 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 p-10 -90.16 -10.68 43.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 72.14 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 m170 76.95 35.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 75.11 109.602 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -148.26 133.1 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 61.42 110.272 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.764 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -96.29 117.7 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 71.43 109.264 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.99 158.48 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.44 110.307 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.652 ' O ' HD13 ' A' ' 69' ' ' LEU . 17.6 t80 -56.17 -30.7 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 75.2 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -74.29 -39.34 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.43 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 49.3 mt-10 -67.44 -55.1 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.43 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.97 -50.25 64.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.44 111.004 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.6 mp -61.68 -26.12 67.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 61.11 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -72.35 -34.18 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 74.05 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.771 ' CD2' HH21 ' A' ' 74' ' ' ARG . 41.9 mt -57.24 -48.59 78.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.13 109.314 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.859 ' SD ' HD13 ' A' ' 105' ' ' LEU . 10.6 mtm -78.92 2.06 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.25 110.997 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 72.4 110.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.771 HH21 ' CD2' ' A' ' 71' ' ' LEU . 40.4 mtt-85 -54.36 -48.38 71.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 62.44 110.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.72 ' HG2' HD12 ' A' ' 99' ' ' LEU . 19.1 mp0 -38.97 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.3 110.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' ARG . 17.9 mt -60.96 -176.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 75.34 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -76.46 -34.91 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 64.22 109.333 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -50.15 133.05 23.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 41.52 110.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 t30 49.23 26.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.23 109.35 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.758 ' O ' HD13 ' A' ' 99' ' ' LEU . 9.3 t0 41.51 36.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 71.44 109.279 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 99' ' ' LEU . 92.3 p 179.55 168.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 65.14 109.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 86' ' ' LEU . 1.5 tt0 -78.04 171.82 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 72.31 110.317 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 43.7 mm-40 -124.2 -41.05 2.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 64.55 110.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 -48.41 7.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 64.31 110.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -95.13 18.96 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 65.42 109.287 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.9 -58.45 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 72.23 109.313 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.987 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.2 -15.62 16.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.13 110.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.8 18.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 75.51 109.312 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -115.63 37.11 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 63.54 110.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.758 ' HG3' HD22 ' A' ' 121' ' ' LEU . 1.5 tmtm? -89.06 -24.71 22.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 70.44 109.304 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 116' ' ' LEU . 11.7 p -51.15 -40.19 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 72.44 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.934 ' HB2' HG21 ' A' ' 100' ' ' ILE . 67.3 m-85 -62.01 -25.13 67.47 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 123.596 1.665 . . . . 73.34 110.969 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HB2' HG23 ' A' ' 100' ' ' ILE . 9.3 t0 -100.0 95.8 7.11 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.931 -1.033 . . . . 54.24 109.956 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.74 -13.61 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.23 109.334 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.4 p30 -91.3 17.62 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.13 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.76 58.61 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 33.24 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -103.19 -21.87 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 73.31 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.82 47.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 73.32 110.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 80' ' ' ASP . 11.7 tp -113.68 141.15 47.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 71.22 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.934 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -136.86 142.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.43 109.314 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -115.29 -163.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 41.44 110.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.867 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -70.65 -63.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 61.21 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -47.81 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.12 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.03 -41.84 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 74.21 110.281 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.865 ' O ' HG22 ' A' ' 108' ' ' VAL . 4.7 tt -64.68 -15.6 61.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.02 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HE3' HD21 ' A' ' 18' ' ' LEU . 12.8 tttp -92.25 -13.92 29.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 72.34 109.321 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -86.47 -15.6 39.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 75.33 109.596 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.865 HG22 ' O ' ' A' ' 105' ' ' LEU . 26.1 m -67.49 -32.89 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 75.42 109.297 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.993 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.0 mt -49.95 -23.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 60.52 109.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -106.84 -27.48 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.44 110.428 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.9 m -56.83 -68.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.24 110.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.537 HD11 ' O ' ' A' ' 109' ' ' LEU . 3.4 mm 59.53 15.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 55.02 109.36 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ILE . . . -34.59 118.46 0.27 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.521 1.138 . . . . 71.24 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' LEU . 47.6 mt-10 -89.81 -176.71 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 75.51 110.288 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' 117' ' ' THR . 0.0 OUTLIER 45.19 26.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.5 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -53.27 120.16 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 73.42 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 115' ' ' LYS . 7.8 p -124.51 -169.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.13 110.423 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -109.54 -22.98 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 74.21 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -77.95 -0.01 25.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 62.42 109.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 12.4 mt-10 -38.37 -58.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 72.44 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.98 HD11 HD11 ' A' ' 86' ' ' LEU . 2.6 pt? -115.67 -47.05 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 63.13 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 1.5 mm-40 -40.96 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 50.31 110.269 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -136.92 82.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 53.21 109.593 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' HIS . 11.0 t60 -39.99 121.67 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.22 109.616 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 127' ' ' HIS . 10.6 p80 -128.64 12.87 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 71.23 109.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.8 m80 70.48 52.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 74.14 109.621 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 125' ' ' HIS . 0.6 OUTLIER -71.53 -51.4 23.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 74.51 109.602 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 74.2 109.616 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 71.02 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.24 71.52 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 74.34 109.998 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -150.66 154.32 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.44 109.259 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 12' ' ' PHE . 40.1 mt -86.98 138.56 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 75.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 p -121.56 175.91 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 64.41 110.384 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.85 -35.25 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 70.45 110.295 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.48 -55.03 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.32 110.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.9 mm-40 -57.54 -56.36 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 54.24 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 60.1 mt -42.51 -52.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 70.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.42 50.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 23.01 109.257 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 76.2 mm-40 -62.38 -54.88 33.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 75.45 110.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-30 -47.58 -43.74 25.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 74.12 111.032 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -52.5 -35.63 53.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 63.41 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.0 mt-10 -86.4 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.54 110.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.5 -29.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.11 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 4.9 t80 -78.4 -53.03 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 71.31 110.993 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -21.69 30.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.4 109.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.2 mp -58.99 -35.33 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.44 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 35' ' ' VAL . 57.7 m-85 -90.96 -54.44 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.24 110.969 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.91 136.33 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 60.13 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' CE ' HG21 ' A' ' 34' ' ' THR . 8.8 mmtp -82.44 -65.26 1.03 Allowed 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.649 1.69 . . . . 73.44 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -84.65 -0.96 55.32 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.885 -1.055 . . . . 71.33 109.989 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.7 t30 48.36 58.55 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 55.12 109.278 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.8 p-10 -91.73 -17.77 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.34 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.63 -19.77 18.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 62.42 110.984 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -109.36 122.18 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 74.34 109.983 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 HD23 ' A' ' 32' ' ' LEU . 71.4 mt -104.51 133.85 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.42 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -107.38 166.76 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.41 110.013 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -27.62 65.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -72.25 -36.68 69.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.42 109.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.9 mt-10 -81.45 -36.42 29.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.18 -55.41 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 44.11 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -59.19 -21.04 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.41 109.309 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.598 HG21 ' CE ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -70.22 -24.44 63.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 74.11 110.364 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -80.18 -48.46 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 51.23 109.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.0 mtp -50.62 -50.99 52.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 74.11 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 7.4 ptm180 -49.62 -22.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 54.35 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -83.48 -35.58 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 63.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 109' ' ' LEU . 1.7 mp -63.24 -69.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 73.23 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.88 -40.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 52.21 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -99.81 162.62 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.21 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -140.24 93.63 8.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 74.42 110.02 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.97 141.36 26.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 62.23 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m -77.36 149.0 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 62.41 110.004 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.05 -25.14 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 70.43 110.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.77 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 51.4 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.51 -24.56 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 61.23 110.312 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 44' ' ' SER . 3.1 t -78.69 -48.54 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.44 109.291 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -46.35 -31.18 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 72.41 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.42 -42.63 99.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 44.1 109.331 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.8 mt -76.39 -35.13 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 74.41 109.255 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.606 ' HE1' HG12 ' A' ' 63' ' ' ILE . 86.0 mmm -70.29 -24.17 62.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 71.41 110.955 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 64.23 109.342 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.73 -59.5 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 64.33 110.319 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.968 HG22 HD12 ' A' ' 63' ' ' ILE . 12.4 mt -56.58 -22.73 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 73.51 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.6 127.82 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 74.13 109.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' OE1' ' A' ' 67' ' ' GLU . 74.5 t -92.24 -30.71 4.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-O 123.612 1.672 . . . . 71.45 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.48 -20.5 11.26 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.953 -1.023 . . . . 72.5 110.023 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.36 49.62 3.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 61.0 110.99 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.8 p-10 -104.38 -15.16 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 70.14 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.1 m80 78.16 42.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.4 109.61 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.575 ' C ' HD13 ' A' ' 63' ' ' ILE . 14.3 mt-30 -147.54 130.24 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.44 110.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.968 HD12 HG22 ' A' ' 55' ' ' ILE . 5.4 mm -102.66 124.44 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 71.15 109.308 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.65 159.01 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 71.4 110.266 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.83 ' O ' HD13 ' A' ' 69' ' ' LEU . 24.0 t80 -47.61 -23.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.42 111.039 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -81.83 -51.75 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 65.41 110.023 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 21.3 mt-10 -57.77 -53.55 56.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 75.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HA ' HD23 ' A' ' 71' ' ' LEU . 2.4 t80 -53.46 -51.88 61.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 70.34 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.1 mp -59.25 -18.3 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 75.3 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.41 -24.89 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.03 109.289 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD23 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -73.04 -40.5 65.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 54.53 109.32 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' A' ' 12' ' ' PHE . 3.9 mtt -72.29 -11.94 60.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 74.33 110.992 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -117.8 -7.02 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.1 110.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.786 HH22 HD11 ' A' ' 100' ' ' ILE . 30.5 ptt-85 -50.22 -36.23 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.654 ' CG ' HD12 ' A' ' 99' ' ' LEU . 19.2 mp0 -59.65 126.67 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 70.24 110.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 76' ' ' LEU . 9.9 mt -159.53 176.39 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 75.14 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -72.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 73.03 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -68.0 177.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 61.35 110.019 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.31 60.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 62.34 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -45.9 -41.67 11.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 70.33 109.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t -50.85 -48.48 60.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 53.34 109.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -34.54 73.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 54.04 110.244 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.477 ' HA ' HD11 ' A' ' 86' ' ' LEU . 4.8 mt-30 -68.36 -7.53 32.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 63.24 110.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.98 -7.57 39.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 61.53 110.322 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.777 HD12 ' NE ' ' A' ' 74' ' ' ARG . 2.8 tm? -72.32 -49.3 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.33 109.3 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.584 ' HA ' HH21 ' A' ' 74' ' ' ARG . 0.3 OUTLIER -49.81 -23.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.24 109.307 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 121' ' ' LEU . 4.9 mm-40 -46.77 -38.79 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 61.3 110.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.67 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 64.14 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' CE2' HD13 ' A' ' 71' ' ' LEU . 4.3 m-85 -89.4 25.25 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.43 111.003 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.826 ' HD3' HD13 ' A' ' 121' ' ' LEU . 43.3 tptt -86.19 -23.57 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.51 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG12 HD13 ' A' ' 116' ' ' LEU . 2.8 m -48.99 -50.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 63.14 109.275 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.993 ' HB2' HG21 ' A' ' 100' ' ' ILE . 62.5 m-85 -54.8 -23.58 18.83 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.597 1.665 . . . . 53.12 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER -96.88 100.13 11.67 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 117.899 -1.048 . . . . 51.41 109.998 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -91.49 -18.37 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.291 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.9 p-10 -90.28 8.52 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 60.34 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 49.43 66.31 2.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.167 . . . . 71.23 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -22.62 9.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 61.12 109.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 87.98 -30.71 4.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 64.43 111.048 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' CG ' ' A' ' 75' ' ' GLN . 4.0 tp -98.92 135.08 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 51.02 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.993 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -128.89 142.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.42 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.6 m -109.64 -174.32 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 71.13 110.028 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -61.0 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 63.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.23 -50.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 53.23 109.325 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.72 -33.98 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.52 110.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -73.69 -16.49 61.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.275 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -83.03 -47.15 12.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.14 109.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -61.75 -15.73 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 65.41 109.6 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.92 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -58.3 -40.31 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 53.32 109.289 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.859 ' HA ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -61.69 -16.18 46.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.1 m -103.29 -9.46 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 61.42 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.6 t -60.69 -67.5 0.39 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 74.42 109.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.701 HD13 HD23 ' A' ' 39' ' ' LEU . 7.3 mm 69.92 7.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.24 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.88 126.93 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 51.13 110.979 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -105.76 -65.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 74.42 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -40.55 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.22 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.673 HD13 HG12 ' A' ' 91' ' ' VAL . 2.9 pp -173.2 152.1 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 71.23 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.487 ' OG1' ' CG ' ' A' ' 120' ' ' GLU . 35.2 p -136.29 -165.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 74.22 110.398 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.98 -32.56 15.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 60.33 109.277 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.94 22.99 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 71.13 109.259 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' CG ' ' OG1' ' A' ' 117' ' ' THR . 7.1 mm-40 -102.9 4.01 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.31 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.826 HD13 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -102.55 -53.86 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 74.15 109.294 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 124' ' ' HIS . 37.1 mt-10 -57.49 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 61.31 110.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 45.33 26.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 72.51 109.595 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 122' ' ' GLU . 14.0 t-80 -168.16 -175.71 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 71.34 109.556 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -127.44 159.34 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 62.35 109.568 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 128' ' ' HIS . 99.6 m-70 -113.1 -43.51 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 74.4 109.594 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -67.02 74.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 50.32 109.599 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 126' ' ' HIS . 20.7 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 61.45 109.54 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.024 -0.362 . . . . 72.22 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -148.91 171.67 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 65.24 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -95.54 177.41 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 72.21 109.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 36.8 mt -76.96 125.46 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 74.34 109.257 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -123.96 177.24 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.33 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -49.02 -38.84 24.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 73.15 110.272 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 56.2 mm-40 -57.57 -66.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.03 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -52.93 -57.15 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.23 110.255 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG22 ' HE2' ' A' ' 13' ' ' LYS . 55.0 mt -42.7 -53.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 71.52 109.23 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 74.2 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.761 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 50.8 mm-40 -64.6 -47.97 76.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 54.51 110.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 16.6 m-30 -52.87 -42.61 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE2' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.64 -26.24 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 64.14 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.5 mt-10 -92.88 -63.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 53.15 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 105' ' ' LEU . . . -41.73 -54.52 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 73.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 3.3 t80 -54.01 -38.31 64.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 70.01 110.98 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -70.98 -31.94 68.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 64.03 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.871 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.9 mp -65.48 -31.0 71.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 75.12 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.15 -24.26 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.2 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -78.67 136.68 37.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.24 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' HG21 ' A' ' 34' ' ' THR . 4.0 mmtp -82.99 -64.93 1.08 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.623 1.678 . . . . 73.32 109.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.22 -7.78 59.63 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.91 -1.043 . . . . 72.12 109.974 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.0 m120 60.25 54.37 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.13 109.329 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.1 p-10 -94.85 -25.09 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 71.44 109.256 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 114.32 -22.6 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 65.23 111.019 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -110.77 123.65 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 63.12 109.942 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -96.22 148.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.41 109.264 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -114.27 147.57 38.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 71.21 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -47.03 -37.46 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.13 109.988 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.5 p -66.02 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 75.13 109.978 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.42 -30.0 27.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 62.23 110.274 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.0 tp -75.32 -45.72 37.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 42.32 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -58.62 -41.96 87.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 72.35 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -51.74 -29.37 18.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 73.23 110.393 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.16 -33.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 52.12 109.31 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.893 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -61.6 -50.27 73.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 71.11 110.993 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -53.71 -29.7 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.5 110.271 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -22.63 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 65.33 110.018 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.5 mt -70.83 -65.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.13 109.234 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.64 -42.11 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.132 . . . . 63.24 111.0 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -90.62 165.51 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 73.15 109.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -125.33 86.46 57.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 63.32 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.534 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 141.61 26.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 60.43 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -90.58 140.71 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.14 110.016 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -41.34 -28.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 72.42 110.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.05 -49.86 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.11 109.287 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.0 mt-10 -58.47 -36.94 74.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.1 110.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.32 -50.12 60.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 75.13 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' OD1' ' CD2' ' A' ' 61' ' ' HIS . 23.9 m-20 -44.39 -28.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 61.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' VAL . 26.0 t0 -79.09 -45.67 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.21 109.293 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' VAL . 14.7 mt -66.47 -19.02 65.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 70.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 63' ' ' ILE . 31.0 mmm -90.09 -14.65 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 62.41 111.05 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.74 -29.84 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.24 109.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE1' ' CD2' ' A' ' 85' ' ' LEU . 11.3 pt-20 -78.72 -36.03 43.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 71.54 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.71 HG22 HD12 ' A' ' 63' ' ' ILE . 20.9 mt -82.99 -19.07 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.41 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.56 127.07 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.13 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' OE1' ' A' ' 67' ' ' GLU . 41.4 t -92.25 -26.41 4.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 72.2 109.317 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.7 p30 -119.69 -20.21 7.76 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.942 -1.028 . . . . 71.22 109.993 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.23 41.06 8.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 64.04 111.001 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p-10 -91.14 -6.96 52.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 64.25 109.246 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 24.2 t-80 73.45 44.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.12 109.596 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -153.95 120.04 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 44.54 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.71 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -87.74 117.93 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 50.43 109.332 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.87 160.63 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 70.02 110.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.975 ' O ' HD13 ' A' ' 69' ' ' LEU . 6.1 t80 -58.56 -23.12 57.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 52.15 111.01 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -78.51 -42.77 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 72.11 110.009 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 60.5 mt-10 -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.43 110.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -42.65 -47.41 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.11 111.038 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.975 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.1 mp -60.78 -42.38 97.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.33 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -54.49 -31.88 56.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 62.32 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 55' ' ' ILE . 26.2 mt -59.92 -32.85 71.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 51.3 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HD21 ' A' ' 105' ' ' LEU . 5.4 mtt -97.32 6.4 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 71.31 111.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -127.03 5.62 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.24 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.497 ' CG ' ' OE1' ' A' ' 75' ' ' GLN . 10.0 ptm180 -82.61 -8.25 59.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 72.41 110.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.691 ' O ' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -162.62 139.66 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 72.33 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.5 mt -126.71 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 65.54 109.292 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -57.33 -18.18 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 74.14 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t 68.19 37.63 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 51.41 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' CG ' ' A' ' 77' ' ' LYS . 32.8 m120 -129.1 54.8 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 55.22 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -106.75 166.39 10.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 74.44 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -80.65 -23.16 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 70.23 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 84' ' ' GLU . 7.9 tp10 -67.4 -72.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 75.53 110.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 40.91 28.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.53 110.268 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 82' ' ' GLU . 37.5 tt0 -98.22 -38.21 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.12 110.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 54' ' ' GLU . 3.3 tm? -91.31 -46.4 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 70.43 109.311 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.971 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.2 tm? -45.38 -61.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.32 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 121' ' ' LEU . 2.0 pp20? -58.32 -38.17 76.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 75.42 110.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -71.05 -11.71 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 64.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.1 t80 -115.25 0.97 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 61.53 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.998 ' HD3' HD22 ' A' ' 121' ' ' LEU . 25.4 tttm -70.4 -14.44 62.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.44 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -40.42 -29.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.01 109.314 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.922 ' CG ' HG21 ' A' ' 108' ' ' VAL . 7.5 m-30 -78.05 -57.99 3.5 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.648 1.689 . . . . 74.53 111.003 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 5.6 t0 -54.77 95.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.919 -1.039 . . . . 61.24 109.963 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -91.37 -24.92 19.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 75.33 109.276 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -69.08 -16.46 63.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 71.45 109.252 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 61.18 2.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 63.52 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -111.89 -22.09 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 61.1 109.316 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.971 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 81.26 -7.24 61.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 53.31 111.022 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 75' ' ' GLN . 11.1 tp -129.48 136.53 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 73.14 109.354 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -106.51 148.81 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 54.41 109.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 p -110.9 -168.39 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.45 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 11' ' ' GLU . . . -79.11 -47.08 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 74.41 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.69 62.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 70.1 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -78.7 -68.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.44 110.271 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.901 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -53.77 -20.73 6.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.44 109.289 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.468 ' O ' HD12 ' A' ' 109' ' ' LEU . 50.7 tttt -75.94 -52.35 10.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 71.4 109.306 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -73.93 -15.62 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 74.34 109.623 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.922 HG21 ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -59.8 -19.35 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 74.22 109.263 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.871 ' CD1' HD23 ' A' ' 18' ' ' LEU . 9.5 mt -62.48 -23.86 67.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 72.54 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.04 -5.77 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.34 110.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 112' ' ' ILE . 25.6 t -75.69 -1.3 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.21 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 HD22 ' A' ' 39' ' ' LEU . 3.0 mm -44.22 166.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 70.33 109.298 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' N ' HG22 ' A' ' 112' ' ' ILE . . . 172.85 -173.36 45.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 74.31 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.27 -72.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 62.44 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -66.48 104.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.42 109.304 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 91' ' ' VAL . 5.8 mt -151.63 128.61 11.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 72.22 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -146.78 168.71 20.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.23 110.392 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.43 -15.09 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.12 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 122' ' ' GLU . . . -84.91 7.6 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 51.12 109.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -40.5 -46.11 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 63.14 110.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.998 HD22 ' HD3' ' A' ' 90' ' ' LYS . 1.1 pt? -101.31 -29.41 12.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 70.22 109.291 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.535 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 6.0 mm-40 -87.7 83.53 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.13 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -65.43 -17.03 64.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 60.22 109.621 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -71.78 143.72 49.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.12 109.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -88.47 120.83 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.43 109.62 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -140.84 117.24 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 73.14 109.624 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -56.67 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.11 109.605 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 73.24 109.586 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 73.3 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -116.59 7.61 13.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 62.41 109.952 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.53 130.6 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.34 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 69' ' ' LEU . 7.7 mt -62.97 130.89 46.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.41 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -121.16 175.86 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 75.15 110.375 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.86 -27.29 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 54.32 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -68.69 -53.12 24.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 70.01 110.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.96 -45.57 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 64.44 110.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 94.2 mt -52.82 -52.57 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.3 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -29.23 58.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.24 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -80.83 -32.28 35.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.41 110.337 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 1.001 ' CD1' ' HB2' ' A' ' 102' ' ' ALA . 26.1 m-85 -78.93 -20.01 50.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 75.55 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -53.84 -30.2 44.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.55 109.349 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.8 mt-10 -89.62 -60.31 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 64.43 110.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.23 -33.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 53.02 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.491 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 46.3 t80 -68.26 -44.42 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 53.43 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -64.16 -33.46 75.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.13 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.069 HD23 HD13 ' A' ' 109' ' ' LEU . 10.0 mp -52.38 -33.78 44.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.41 109.271 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' HA ' HG21 ' A' ' 35' ' ' VAL . 80.4 m-85 -101.73 -25.63 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 75.23 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -87.6 116.41 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 70.2 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -77.92 -66.0 0.9 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.601 1.667 . . . . 72.15 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 3.5 p30 -86.59 1.02 53.21 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.899 -1.048 . . . . 61.24 109.957 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 40.89 55.39 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 73.11 109.273 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 8.5 p-10 -81.17 -12.63 59.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 50.15 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -12.41 25.0 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 73.41 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.94 144.05 45.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 64.13 110.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 mt -114.11 146.29 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 63.11 109.276 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -115.39 164.14 14.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.43 110.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.555 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -61.02 -32.72 72.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 73.41 110.0 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 t -65.99 -56.04 13.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 75.04 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.94 -41.41 87.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.4 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.48 -39.92 95.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 71.31 109.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -65.47 -36.97 85.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.2 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -58.09 -28.13 64.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 62.22 110.392 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 ' HA ' ' A' ' 19' ' ' PHE . 97.9 t -82.16 -32.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 55.45 109.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' HE2' ' A' ' 36' ' ' MET . 3.8 mmt -60.56 -54.4 45.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.55 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 10.5 ptm180 -42.26 -36.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 53.53 110.264 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 t -71.1 -55.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 63.23 109.99 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.7 mp -41.9 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.21 109.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.92 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 52.02 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.4 pt? -104.06 169.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 63.31 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -150.77 87.53 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 70.54 110.034 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.98 139.72 24.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 65.42 110.997 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.726 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -68.54 147.61 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 62.33 110.007 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 8.4 pt-20 -38.02 -43.24 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 71.33 110.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -70.03 -48.19 59.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.42 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 72.2 mm-40 -57.97 -25.74 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 53.03 110.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' SER . 19.8 t -81.05 -39.69 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.51 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -55.26 -26.59 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 72.25 109.36 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.71 -35.29 76.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.21 109.255 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 51' ' ' LEU . 3.8 mt -82.49 -34.2 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 53.43 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.573 ' HE1' HG12 ' A' ' 63' ' ' ILE . 55.6 mmm -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 71.34 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.23 89.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 64.42 109.294 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.5 -55.86 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 72.34 110.337 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.114 HG22 HD12 ' A' ' 63' ' ' ILE . 11.7 mt -56.19 -24.81 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 60.24 109.268 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.23 127.16 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 65.42 109.324 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -91.55 -26.26 5.08 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 CA-C-O 123.601 1.667 . . . . 73.21 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.97 -20.48 6.86 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.925 -1.036 . . . . 63.43 109.978 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.83 49.83 3.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 42.33 110.998 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.8 p30 -107.23 -11.29 15.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 62.14 109.266 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 19.4 m-70 74.82 47.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.54 109.632 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 29.6 mt-30 -148.79 121.93 8.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.52 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.114 HD12 HG22 ' A' ' 55' ' ' ILE . 10.2 mm -105.34 127.56 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 43.44 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.17 164.96 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.44 110.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.794 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.8 t80 -46.4 -27.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 75.32 110.978 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t -78.66 -51.76 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 70.34 110.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mt-10 -56.96 -55.66 31.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 70.51 110.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.82 -37.67 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.33 111.053 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.4 mp -80.49 -27.44 37.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 72.32 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -52.53 -46.68 66.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 61.42 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.778 HD22 HH21 ' A' ' 74' ' ' ARG . 13.2 mt -42.25 -28.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 41.34 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 69' ' ' LEU . 29.8 mtm -95.21 -34.71 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 70.23 111.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.783 ' O ' HD23 ' A' ' 76' ' ' LEU . 54.5 m -58.06 -43.51 86.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 72.02 110.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.778 HH21 HD22 ' A' ' 71' ' ' LEU . 14.5 ptt180 -85.45 1.65 47.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 73.34 110.265 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.1 tt0 -97.76 15.26 24.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.13 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 73' ' ' SER . 0.5 OUTLIER -55.01 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 73.13 109.316 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.79 9.07 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 64.03 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' ASP . 7.5 t -100.66 161.61 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 65.33 110.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -48.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 74.13 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 t0 -124.53 179.53 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 73.34 109.33 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -81.17 -77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 50.33 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.57 108.77 15.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 74.12 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -128.29 3.57 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.53 110.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.7 -23.0 58.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.4 110.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -89.64 15.57 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 63.34 109.255 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -94.93 -65.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.25 109.274 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.778 ' HG3' HD11 ' A' ' 121' ' ' LEU . 5.7 mp0 -71.21 -15.71 62.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.22 110.342 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.68 -5.48 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.32 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 85' ' ' LEU . 1.5 t80 -132.56 14.77 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.42 110.978 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.754 ' HD3' HD13 ' A' ' 121' ' ' LEU . 17.7 tttt -89.04 -19.55 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 71.32 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.63 HG11 ' H ' ' A' ' 115' ' ' LYS . 3.2 p -40.11 -30.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 75.25 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HD2' HG11 ' A' ' 108' ' ' VAL . 10.2 m-85 -71.54 -49.58 39.42 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.679 1.704 . . . . 64.13 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 100' ' ' ILE . 27.2 t0 -63.69 105.95 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.963 -1.017 . . . . 71.25 109.944 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -91.01 -14.41 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.35 109.254 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 1.8 p30 -87.74 11.86 14.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.15 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 63.19 1.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 53.01 111.017 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 -5.43 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 64.34 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.93 22.37 75.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 73.43 110.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 75' ' ' GLN . 2.1 tp -165.33 158.86 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 75.34 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.563 HG22 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -132.18 146.03 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.11 109.342 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.6 m -115.31 -173.62 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.34 109.975 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.001 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -65.09 -58.78 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.1 109.283 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.55 -22.21 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 70.33 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 108' ' ' VAL . 4.2 tt0 -84.58 -29.14 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 44.3 110.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.9 OUTLIER -83.76 -15.66 47.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.2 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 109' ' ' LEU . 21.9 tttt -83.16 -20.41 34.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 65.24 109.287 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -85.93 -46.08 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 73.4 109.557 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HD2' ' A' ' 92' ' ' PHE . 10.9 m -58.35 -27.13 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 53.53 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.069 HD13 HD23 ' A' ' 18' ' ' LEU . 3.6 mt -55.51 -23.42 26.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.55 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.68 ' O ' HD12 ' A' ' 112' ' ' ILE . 23.2 m -106.03 -18.13 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.54 110.359 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -60.64 -67.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 45.22 109.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 110' ' ' THR . 2.2 mt 72.64 4.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.33 109.286 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 116' ' ' LEU . . . -116.03 52.28 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.155 . . . . 71.44 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 10.8 mp0 -99.81 178.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.31 110.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' H ' HG11 ' A' ' 91' ' ' VAL . 8.7 ptmm? 39.74 60.32 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 74.4 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.741 HD12 HG23 ' A' ' 117' ' ' THR . 2.3 pp -115.28 -10.61 12.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 72.11 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 116' ' ' LEU . 1.5 p -161.04 147.08 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 74.12 110.351 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.32 -44.58 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 64.41 109.301 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 120' ' ' GLU . . . -74.97 -3.12 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 50.53 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ALA . 37.1 tp10 -38.03 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.33 110.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.778 HD11 ' HG3' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -115.57 -37.69 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.52 109.304 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.423 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 2.1 tt0 -64.32 113.17 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 74.2 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -110.71 -174.73 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 63.42 109.569 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.5 ' N ' ' CD2' ' A' ' 124' ' ' HIS . 2.4 m170 -70.43 71.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.43 109.637 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -171.95 135.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 75.51 109.584 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -144.09 -175.59 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 64.31 109.646 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -57.92 -74.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.54 109.57 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 73.53 109.622 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.999 -0.371 . . . . 64.02 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -144.18 163.5 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.13 109.981 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -57.06 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 61.33 109.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.759 HD22 ' CE2' ' A' ' 12' ' ' PHE . 15.5 mt -86.81 124.61 33.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 64.15 109.315 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 174.63 7.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.32 110.379 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.76 -44.18 6.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 74.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 55.9 mm-40 -52.96 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.44 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 17.3 mm-40 -51.08 -57.93 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 72.51 110.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 47.7 mt -43.59 -41.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 55.23 109.302 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -59.74 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 65.1 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 41.4 mm-40 -59.63 -49.95 75.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 17.5 m-30 -51.39 -42.34 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 71.13 111.035 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -52.97 -29.66 30.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.31 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.7 mt-10 -92.03 -66.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.21 110.323 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -41.6 -29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 63.44 109.264 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' PHE . 10.0 t80 -77.44 -47.11 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 72.2 110.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -60.73 -31.48 70.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 73.05 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.967 HD23 HD13 ' A' ' 109' ' ' LEU . 8.3 mp -51.28 -29.85 16.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.03 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 35' ' ' VAL . 47.5 m-85 -95.28 -47.21 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.25 110.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 135.51 57.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 72.45 109.316 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -81.18 -65.65 0.99 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.584 1.659 . . . . 74.3 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.6 p30 -84.01 1.05 45.61 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.934 -1.031 . . . . 75.54 110.0 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.8 OUTLIER 42.31 59.77 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.45 109.291 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 13.1 p-10 -92.07 -15.94 27.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 71.22 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -21.62 13.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 74.32 111.035 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -119.05 127.91 53.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 60.42 109.985 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.9 mt -99.42 148.37 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 75.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -110.17 155.8 21.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 73.33 109.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 0.5 OUTLIER -57.01 -38.49 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 73.54 110.013 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -64.43 -54.7 28.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.32 110.023 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.13 -35.15 71.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 74.35 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.8 -45.2 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 61.02 109.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.77 80.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 65.12 109.265 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.3 m -55.82 -26.61 47.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.4 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 19' ' ' PHE . 58.4 t -83.46 -33.04 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 74.04 109.265 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 1.038 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.0 mmt -65.75 -43.48 88.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 62.11 111.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 34' ' ' THR . 6.3 ptp180 -55.33 -29.34 58.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.22 110.327 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -83.42 -20.55 33.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 75.32 109.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.038 HD12 ' CE ' ' A' ' 36' ' ' MET . 3.9 mt -73.66 -44.79 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 60.23 109.312 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.24 -31.25 1.06 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 65.31 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -92.57 163.86 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 55.32 109.31 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 t -128.54 87.5 54.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.2 110.018 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.96 141.5 26.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 74.53 111.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.736 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -89.95 139.53 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 61.22 109.998 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -41.43 -28.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.03 110.285 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -77.74 -49.49 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.21 109.339 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -58.34 -36.62 73.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 73.55 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' SER . 2.7 t -68.16 -48.71 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.15 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -47.45 -25.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 74.23 109.273 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -80.63 -54.12 5.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 63.15 109.313 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.72 -20.3 55.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.13 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.491 ' SD ' ' CB ' ' A' ' 29' ' ' SER . 74.2 mtp -89.39 -15.19 33.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 54.11 110.995 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -70.08 -25.62 63.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.1 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' ' CD2' ' A' ' 85' ' ' LEU . 10.8 pt-20 -79.48 -35.64 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 71.22 110.254 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 63' ' ' ILE . 53.8 mt -87.37 -16.64 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 61.3 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.98 119.87 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 72.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.09 -24.04 5.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 CA-C-O 123.612 1.672 . . . . 73.24 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 4.1 p30 -114.94 -18.98 11.13 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 117.935 -1.031 . . . . 72.22 110.02 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 80.18 50.97 5.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 54.51 111.041 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 51.6 p-10 -107.16 -15.23 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 74.23 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 4.0 m-70 75.58 44.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 62.52 109.587 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 11.5 mt-30 -144.07 122.35 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 53.22 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD12 HG22 ' A' ' 55' ' ' ILE . 8.3 mm -95.96 116.82 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 64.14 109.334 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -102.18 173.6 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 75.32 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.744 ' O ' HD13 ' A' ' 69' ' ' LEU . 9.5 t80 -61.93 -25.25 67.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 34.3 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -73.42 -43.85 59.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 61.5 110.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 36.2 mt-10 -69.05 -50.9 44.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 40.41 110.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 71' ' ' LEU . 38.4 t80 -51.73 -48.3 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.24 110.994 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 65' ' ' PHE . 5.6 mp -64.59 -33.19 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 64.11 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -63.64 -27.42 69.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 60.43 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 55' ' ' ILE . 38.3 mt -55.54 -38.39 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 73.13 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -83.44 -15.18 50.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.24 111.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t -97.58 8.86 43.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 63.03 109.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 85' ' ' LEU . 9.3 mmp_? -72.69 -19.57 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.34 110.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.668 ' NE2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.15 123.64 13.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 75.23 110.307 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.2 tp -109.48 -57.99 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 72.01 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' ASN . 38.2 ttpt -153.98 163.62 39.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 71.45 109.315 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 t -50.98 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.23 109.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' LYS . 26.4 m120 -141.32 -177.53 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.13 109.307 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -96.61 100.61 12.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.35 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -162.21 178.0 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 71.44 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.93 108.37 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 73.23 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 23.2 mm100 -113.24 -24.52 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 71.13 110.319 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 62.33 110.34 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' GLU . 3.2 tm? -65.47 -55.97 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 72.54 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 98' ' ' GLY . 2.0 tm? -51.85 -41.55 61.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.44 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.683 ' HA ' HD21 ' A' ' 121' ' ' LEU . 5.2 mt-10 -57.02 -33.08 66.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.24 110.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.92 -20.3 46.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 51.22 109.267 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 85' ' ' LEU . 4.5 m-85 -92.32 26.36 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 74.14 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 6.0 tptt -88.06 -24.27 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.05 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.766 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.6 p -47.0 -25.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 65.1 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.816 ' CG ' HG11 ' A' ' 108' ' ' VAL . 7.2 m-30 -88.28 -34.19 17.78 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.638 1.685 . . . . 72.25 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 99' ' ' LEU . 6.0 t0 -88.16 95.0 9.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.869 -1.062 . . . . 72.21 109.984 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -23.08 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 71.11 109.303 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -71.2 -12.13 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 61.23 109.337 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.6 60.6 3.4 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 74.21 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.412 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -111.75 -22.0 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 61.54 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.778 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 76.13 -0.75 62.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.56 1.163 . . . . 71.01 111.039 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD13 ' CG ' ' A' ' 75' ' ' GLN . 23.9 tp -136.1 143.14 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 75.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 ' OE1' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -134.9 133.45 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 70.14 109.327 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -94.6 -171.94 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.44 110.056 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.03 -28.8 70.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.24 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.64 -64.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.01 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.827 ' OE1' HG22 ' A' ' 100' ' ' ILE . 6.3 tt0 -51.29 -44.26 61.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.34 110.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.839 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.6 tt -62.05 -25.05 67.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.14 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -92.19 -13.99 29.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 74.42 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -86.7 -16.8 35.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.4 109.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 105' ' ' LEU . 28.3 m -62.7 -29.21 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 62.34 109.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.967 HD13 HD23 ' A' ' 18' ' ' LEU . 5.3 mt -66.72 -24.25 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.13 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -106.68 -2.25 21.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 73.41 110.446 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.7 t -69.71 -67.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 63.21 110.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mm 63.33 12.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 109.244 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.63 124.97 22.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 55.1 111.019 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.89 -174.75 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 73.01 110.303 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mttp 49.38 66.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 73.13 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 HG23 ' A' ' 91' ' ' VAL . 1.6 pt? -161.25 124.7 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 74.14 109.338 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.7 p -133.16 -169.86 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 75.13 110.424 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -75.64 -12.39 60.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.41 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.99 -6.86 42.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 71.05 109.309 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -43.62 93.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 71.25 110.253 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.683 HD21 ' HA ' ' A' ' 87' ' ' GLU . 1.4 pt? -112.27 -40.45 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 53.14 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 29.4 mt-10 -47.73 119.09 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.13 110.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -66.47 175.2 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 51.12 109.545 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 3.2 p-80 -63.77 -36.9 85.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 73.01 109.548 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 6.7 m80 -173.75 -179.6 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.25 109.576 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -85.21 151.81 23.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.44 109.613 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -135.86 141.84 44.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.3 109.611 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 59.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.04 109.619 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.969 -0.382 . . . . 62.51 109.969 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -128.07 93.86 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 62.2 109.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -48.84 161.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 75.12 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 18.5 mt -94.18 127.4 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 70.11 109.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -120.75 -175.27 3.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.42 110.385 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -56.69 -42.57 79.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.03 110.236 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.73 -52.19 65.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.23 110.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.4 mm100 -56.89 -54.93 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 44.53 110.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.86 -45.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.13 109.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -45.13 87.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 62.13 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 15.2 mt-10 -61.78 -54.72 38.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 71.14 110.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.952 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 22.5 m-85 -53.01 -43.59 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 73.12 111.007 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -48.57 -24.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 41.33 109.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' PHE . 3.8 mt-10 -92.83 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.25 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.5 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 64.11 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 29.2 t80 -71.84 -50.85 25.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 54.12 111.014 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.08 -40.77 67.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.25 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.901 HD23 ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -46.53 -35.4 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.15 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -91.6 -54.46 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.52 111.034 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.19 135.96 37.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.13 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -83.99 -65.6 0.99 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.622 1.677 . . . . 75.24 109.366 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.1 p30 -82.82 -7.36 59.66 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 117.904 -1.046 . . . . 61.31 109.987 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.85 56.43 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 62.3 109.331 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 14.3 p-10 -92.36 -22.24 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 72.42 109.273 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.41 -13.46 25.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 53.4 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.35 122.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 55.4 110.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 29.7 mt -97.53 130.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 75.41 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 p -89.6 179.93 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 64.4 110.045 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.518 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.58 -22.15 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 64.02 110.031 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.7 p -87.48 -39.14 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.53 110.017 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.37 -33.43 74.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 74.53 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.7 -40.56 84.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.285 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.723 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -67.09 -30.7 70.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.4 109.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -61.27 -21.82 64.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 54.04 110.361 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.02 -44.68 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.12 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.788 ' SD ' HD21 ' A' ' 41' ' ' LEU . 5.5 mmt -52.3 -51.73 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.34 110.983 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 34' ' ' THR . 12.4 ptm180 -44.65 -34.83 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.14 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -66.5 -41.01 89.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.32 110.0 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CE ' ' A' ' 36' ' ' MET . 4.6 mp -63.08 -68.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 72.12 109.25 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.82 -36.17 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 71.01 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.788 HD21 ' SD ' ' A' ' 36' ' ' MET . 1.7 pt? -86.21 165.2 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 72.22 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.3 p -140.78 84.03 13.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 63.43 110.028 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.93 139.62 24.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 74.3 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 1.037 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.4 t -84.86 162.13 19.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 62.42 109.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -55.23 -22.77 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 63.15 110.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.97 -25.3 30.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.45 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.23 -20.92 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.12 110.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 44' ' ' SER . 3.9 t -84.15 -46.61 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 63.43 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -51.09 -27.3 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.41 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.0 -41.34 86.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.23 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -79.24 -28.6 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 74.2 109.285 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.477 ' HE1' HG12 ' A' ' 63' ' ' ILE . 52.5 mmm -78.76 -18.53 54.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.41 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -44.87 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 65.44 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.48 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 62.4 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.917 HG22 HD12 ' A' ' 63' ' ' ILE . 17.3 mt -64.95 -24.34 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.44 109.319 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.69 125.18 29.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.23 109.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -92.1 -26.24 4.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.645 1.688 . . . . 51.3 109.332 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.3 -20.38 8.56 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 54.54 109.951 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.08 50.79 3.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 63.54 110.99 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.7 p-10 -103.21 -15.24 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.794 . . . . 75.34 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 18.4 m-70 79.42 40.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.34 109.59 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 34.5 mt-30 -149.86 122.34 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 73.51 110.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 55' ' ' ILE . 7.0 mm -86.98 118.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 71.34 109.302 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.02 153.91 22.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 74.41 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' HD13 ' A' ' 69' ' ' LEU . 12.1 t80 -52.41 -19.84 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.22 110.987 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -88.63 -47.76 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.42 109.976 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 70.6 mt-10 -57.94 -47.61 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.21 110.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.5 -50.66 62.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.44 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.4 mp -67.11 -32.14 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 64.21 109.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.37 -29.61 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 51.22 109.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 55' ' ' ILE . 75.5 mt -60.71 -25.07 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.53 109.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 40.2 mtm -105.3 19.09 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 74.35 111.007 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' GLN . 12.4 t -111.82 -56.88 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.13 109.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.881 ' NH1' HD12 ' A' ' 85' ' ' LEU . 3.0 ptt-85 -39.0 -30.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 65.31 110.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.539 HE22 HD11 ' A' ' 100' ' ' ILE . 34.5 mt-30 -68.09 110.85 4.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 61.45 110.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 77' ' ' LYS . 6.1 tt -173.5 164.76 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.34 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.911 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.7 151.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 73.12 109.279 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.54 ' OG ' ' CE1' ' A' ' 127' ' ' HIS . 2.2 t -39.91 118.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -163.23 171.88 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.01 109.275 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.22 95.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 71.13 109.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 m -176.21 157.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 70.51 109.958 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.59 111.75 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.44 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -104.2 2.72 32.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 72.41 110.306 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -78.46 -27.46 46.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 75.35 110.322 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD12 ' NH1' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -78.41 -23.2 46.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 73.54 109.341 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -56.92 -62.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 74.43 109.287 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.5 pm0 -57.46 -38.97 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 51.22 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -15.15 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 72.53 109.257 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 2.0 m-85 -118.45 42.47 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 55.24 111.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.855 ' HG3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -86.19 -25.98 25.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 65.41 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' A' ' 116' ' ' LEU . 4.4 p -46.52 -45.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 62.22 109.33 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.911 ' CD1' HG21 ' A' ' 108' ' ' VAL . 49.8 m-85 -62.14 -28.65 69.8 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.609 1.671 . . . . 72.34 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 2.6 t0 -88.46 113.81 24.43 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.869 -1.062 . . . . 65.43 109.976 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -29.17 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 75.04 109.318 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -93.78 -20.36 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 70.41 109.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.28 78.04 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 71.41 110.961 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -106.3 -16.79 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.53 109.314 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.06 13.26 27.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 54.14 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 100' ' ' ILE . 1.8 tt -165.08 158.28 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 71.33 109.305 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.806 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -141.54 138.57 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 42.53 109.293 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -101.23 -173.3 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 73.11 110.018 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.952 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -63.97 -52.19 60.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.44 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.3 -23.61 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 62.33 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -88.68 -27.9 20.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 73.15 110.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tt -76.64 -15.77 59.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.566 ' HE2' HD21 ' A' ' 18' ' ' LEU . 21.5 tttm -82.04 -47.78 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 60.13 109.266 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 111' ' ' SER . 28.7 t-80 -45.29 -26.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 75.35 109.59 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.911 HG21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 t -54.35 -51.8 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 45.43 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.901 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.6 mt -58.59 -17.08 18.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 61.24 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 m -102.37 -15.35 16.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 53.32 110.402 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 107' ' ' HIS . 74.6 m -58.41 -66.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 53.2 109.988 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.33 7.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 64.32 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.39 119.57 5.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 75.42 110.982 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.762 ' O ' HD22 ' A' ' 116' ' ' LEU . 6.2 mt-10 -75.52 -43.98 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 43.53 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -48.4 113.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 61.13 109.269 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -169.33 118.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 65.41 109.275 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -127.31 -168.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 60.1 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -96.01 -49.68 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.24 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.45 -5.01 37.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.13 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.496 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 4.3 tp10 -39.15 -42.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 72.21 110.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.855 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -115.43 -37.92 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 70.13 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.2 95.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.23 110.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -113.3 -13.79 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 74.12 109.609 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 123' ' ' HIS . 20.1 m-70 -174.45 130.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.13 109.621 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.89 122.77 16.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 64.15 109.587 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -175.27 152.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 73.35 109.579 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.54 ' CE1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -174.99 167.19 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 54.21 109.608 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 75.52 109.633 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.039 -0.356 . . . . 71.45 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -98.13 111.69 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.42 109.922 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.85 158.92 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 71.35 109.349 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 59.4 mt -83.8 134.71 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.53 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -124.57 171.08 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.2 110.37 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -49.73 -49.54 47.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.42 110.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -49.98 -51.34 42.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 74.24 110.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mm-40 -57.14 -52.32 65.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 65.14 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.954 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 60.6 mt -49.58 -39.59 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 62.01 109.28 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.01 -34.09 76.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.15 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.869 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 9.2 mt-10 -69.29 -45.84 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 75.04 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 13.0 m-30 -57.54 -38.49 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 71.35 110.985 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.954 ' NZ ' HG22 ' A' ' 9' ' ' ILE . 33.0 mttp -40.46 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.05 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.5 mt-10 -61.72 -56.68 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 73.2 110.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.25 -30.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 72.45 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' GLU . 6.5 t80 -71.13 -60.57 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 110.994 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.47 -38.75 60.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 70.43 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.004 HD23 ' CD1' ' A' ' 109' ' ' LEU . 5.7 mp -45.03 -33.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.51 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.65 ' HA ' HG21 ' A' ' 35' ' ' VAL . 34.0 m-85 -100.69 -35.63 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 54.32 110.999 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' SER . 10.2 t0 -99.11 113.41 25.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 73.22 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -72.46 -66.24 0.68 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.616 1.674 . . . . 71.3 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 3.5 p30 -59.3 -12.17 5.21 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.936 -1.031 . . . . 72.02 109.998 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 40.35 44.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 75.03 109.289 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 31.4 m120 -63.13 -13.14 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 63.03 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.49 -4.09 21.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.531 1.145 . . . . 61.35 110.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -141.14 166.72 24.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 64.03 110.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -122.37 140.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.24 109.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -116.0 155.46 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 45.24 110.016 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -25.7 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 65.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -76.26 -53.74 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 62.33 110.033 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CD ' ' OD1' ' A' ' 20' ' ' ASP . 43.5 mt-10 -61.1 -28.33 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 73.11 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -76.82 -56.65 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.53 109.237 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -55.02 -30.89 60.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 24.03 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -57.03 -34.87 68.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 61.1 110.423 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 19' ' ' PHE . 24.3 t -80.18 -29.13 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 64.44 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.901 ' CE ' HD12 ' A' ' 39' ' ' LEU . 51.3 mmm -68.38 -49.58 59.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 44.41 111.045 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.2 ptm180 -48.34 -31.34 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 71.54 110.312 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 20.2 t -78.03 -30.85 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 71.31 109.983 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.901 HD12 ' CE ' ' A' ' 36' ' ' MET . 28.4 mt -58.86 -46.46 87.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.02 109.314 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.03 -31.14 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 52.44 110.982 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.625 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.4 pt? -86.73 166.97 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 61.25 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -128.53 86.26 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.24 109.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.521 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.05 141.72 26.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 62.51 110.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -92.28 141.79 28.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 71.25 110.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -42.44 -27.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 72.42 110.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.23 -48.42 15.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 43.33 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.5 mm-40 -60.54 -32.68 71.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -74.34 -49.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 75.55 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -46.28 -31.65 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.13 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.99 -42.69 99.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.23 109.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' VAL . 3.7 mt -76.65 -34.54 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 65.33 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.586 ' HE1' HG12 ' A' ' 63' ' ' ILE . 59.2 mmm -73.22 -20.08 60.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.53 110.971 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.97 -49.9 58.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 72.55 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.02 -53.62 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.53 110.237 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 63' ' ' ILE . 15.0 mt -60.61 -24.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.4 109.281 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.93 125.81 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.22 109.259 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 ' OE2' ' A' ' 67' ' ' GLU . 86.1 t -92.08 -22.48 5.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.652 1.691 . . . . 52.5 109.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.8 p30 -122.73 -20.48 5.91 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.925 -1.036 . . . . 72.25 109.978 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 41.11 6.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.102 . . . . 44.03 110.986 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.558 ' C ' ' CG ' ' A' ' 61' ' ' HIS . 41.7 p-10 -100.3 8.6 43.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 73.13 109.328 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' CG ' ' C ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.69 54.5 10.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 74.12 109.629 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 28.6 mt-30 -157.71 117.74 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 73.55 110.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 55' ' ' ILE . 7.5 mm -88.01 116.59 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 51.51 109.345 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.33 162.65 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 75.12 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.834 ' O ' HD13 ' A' ' 69' ' ' LEU . 54.3 t80 -55.75 -25.14 39.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.12 111.053 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.9 t -87.16 -51.06 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.14 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' OE2' HG23 ' A' ' 57' ' ' VAL . 44.0 mt-10 -55.02 -35.42 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.22 110.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -67.75 -44.83 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.02 111.002 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.9 mp -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 71.32 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -58.18 -40.97 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 62.31 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 55' ' ' ILE . 12.2 mt -56.02 -19.88 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 75.43 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.594 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 7.4 mtt -96.09 -20.26 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 62.21 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 16.6 p -113.68 16.26 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.13 110.0 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.623 ' CD ' HD12 ' A' ' 85' ' ' LEU . 24.9 mtt-85 -62.47 -30.08 71.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 74.53 110.273 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.744 ' NE2' HD23 ' A' ' 86' ' ' LEU . 2.9 mp0 -90.41 8.62 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 62.02 110.277 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -127.88 15.48 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 72.33 109.311 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' ASN . 16.3 ttpp -73.78 174.54 8.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 71.41 109.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -39.39 -30.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 61.23 109.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' LYS . 62.9 t-20 -88.34 112.91 23.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 64.14 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -76.82 59.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 71.43 109.284 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -176.19 175.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 74.04 109.963 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.876 ' CD ' HD12 ' A' ' 86' ' ' LEU . 4.8 tt0 -74.73 164.63 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.54 110.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -122.15 -163.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 62.45 110.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -91.98 -7.8 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 75.22 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.7 tm? -90.12 -46.22 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 72.13 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.876 HD12 ' CD ' ' A' ' 82' ' ' GLU . 1.6 tm? -61.33 -54.34 45.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.2 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 1.013 ' HA ' HD21 ' A' ' 121' ' ' LEU . 42.9 mt-10 -46.6 -25.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 65.13 110.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 118' ' ' ASP . . . -95.24 -31.89 13.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 64.43 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -80.56 6.02 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 70.21 111.024 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.829 ' HD3' HD22 ' A' ' 121' ' ' LEU . 2.3 ttpp -67.96 -10.47 53.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.12 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.867 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.6 OUTLIER -51.27 -32.88 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 72.14 109.276 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.846 ' CE2' HG21 ' A' ' 108' ' ' VAL . 69.0 m-85 -76.3 -23.92 54.37 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.597 1.665 . . . . 73.24 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 95' ' ' ASN . 0.8 OUTLIER -86.86 99.89 12.16 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.885 -1.055 . . . . 75.11 109.977 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -91.05 -13.45 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.3 109.293 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 18.6 p-10 -97.65 13.06 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.45 109.282 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.6 66.02 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 52.1 111.019 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -110.47 -21.87 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 73.34 109.343 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.03 18.08 79.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 63.22 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 75' ' ' GLN . 4.4 tp -148.39 142.52 26.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 63.1 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.74 HG22 ' OE2' ' A' ' 104' ' ' GLU . 7.4 pt -128.05 133.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.34 109.337 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -111.97 -172.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 74.5 109.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.908 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.21 -29.66 70.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 52.21 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -69.14 -59.73 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.15 109.298 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.74 ' OE2' HG22 ' A' ' 100' ' ' ILE . 8.9 tt0 -55.47 -47.95 75.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 55.21 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tt -56.59 -28.18 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 52.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -92.14 -21.09 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 52.55 109.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 103' ' ' ALA . 23.8 t-80 -86.56 -16.65 36.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 70.05 109.602 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.846 HG21 ' CE2' ' A' ' 92' ' ' PHE . 8.0 p -55.73 -39.59 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.45 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.004 ' CD1' HD23 ' A' ' 18' ' ' LEU . 4.7 mt -61.01 -23.47 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 64.33 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -104.32 -10.33 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.5 110.443 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -60.02 -66.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 64.52 110.001 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.8 mm 70.3 7.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.42 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.88 98.63 1.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 52.23 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 11.0 mt-10 -89.21 -44.84 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 63.54 110.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -62.02 82.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.34 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 91' ' ' VAL . 2.3 mt -150.57 132.03 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 73.53 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 p -101.39 171.5 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 75.2 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 88' ' ' ALA . 92.5 m-20 -111.22 -30.09 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.25 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.74 23.01 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.11 109.308 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.59 -43.28 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 71.54 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.013 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -110.34 -24.82 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 75.55 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 7.2 tt0 -38.5 -39.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 72.53 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' GLU . 5.6 t-160 39.42 59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.13 109.578 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 5.3 p-80 -40.0 116.38 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 71.12 109.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 9.6 m170 -158.3 -176.17 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 74.23 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -79.17 116.26 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 64.13 109.631 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -120.48 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 71.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 44.51 109.628 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 64.02 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -90.48 -26.21 19.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 62.13 110.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -145.3 147.19 32.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.44 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 69' ' ' LEU . 5.9 mt -70.55 137.66 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 64.34 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -124.53 174.35 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 72.31 110.39 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.02 -28.92 59.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 73.04 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.35 -51.54 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 72.4 110.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 8.1 mt-30 -64.61 -51.24 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 72.43 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 75.1 mt -42.84 -57.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.14 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' LYS . . . -40.61 -59.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 55.4 109.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 56.1 mm-40 -53.43 -55.21 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 75.43 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 4' ' ' LEU . 16.5 m-85 -53.52 -22.27 7.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 75.32 111.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 8.6 ttpp -58.47 -64.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 16' ' ' PHE . 4.1 mt-10 -61.65 -53.37 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 74.42 110.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' ' 18' ' ' LEU . . . -40.15 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.02 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 14' ' ' GLU . 4.8 t80 -72.26 -51.28 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 64.2 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.24 -40.63 67.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 25.43 109.332 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.995 HD23 ' CD1' ' A' ' 109' ' ' LEU . 1.2 mp -45.1 -35.11 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 35.53 109.312 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 32' ' ' LEU . 42.7 m-85 -99.95 -27.23 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 74.24 111.04 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' SER . 22.5 t0 -110.47 104.42 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 74.32 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -64.39 0.99 Allowed 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.622 1.677 . . . . 72.43 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 24' ' ' ASN . 2.9 p30 -55.07 -15.88 2.48 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.893 -1.051 . . . . 71.32 109.946 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 44.71 40.71 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.4 109.286 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 22' ' ' ASP . 30.4 m120 -60.61 -15.29 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 75.35 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.44 1.51 21.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 73.13 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 20' ' ' ASP . 33.8 p -150.84 172.14 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 0.721 . . . . 61.23 110.02 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.7 136.37 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 64.13 109.312 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -114.32 169.44 9.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 60.01 110.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -71.34 -25.8 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 63.12 110.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 34' ' ' THR . 24.2 m -72.97 -43.19 62.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.23 109.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.87 -38.03 62.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.24 110.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -70.37 -57.24 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 63.33 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.92 -44.7 70.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.32 109.317 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 m -53.92 -32.41 53.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.01 110.385 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 39' ' ' LEU . 3.6 t -77.45 -43.67 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.42 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.442 ' CE ' HD21 ' A' ' 41' ' ' LEU . 6.2 mmt -48.61 -59.66 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 73.34 111.062 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.8 ptt180 -41.93 -29.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 72.22 110.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.3 t -75.27 -48.91 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.42 110.027 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD23 ' CG1' ' A' ' 112' ' ' ILE . 4.1 mp -50.04 -60.42 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 64.54 109.279 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.1 -33.04 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 72.44 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.1 pt? -101.05 163.67 12.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 72.35 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m -142.0 90.45 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 61.2 109.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 141.72 26.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.542 1.811 . . . . 73.54 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.863 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -68.36 141.35 55.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 72.31 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -45.9 -48.62 16.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 70.32 110.347 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 70.25 109.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.4 tm-20 -78.63 -25.66 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.24 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 44' ' ' SER . 7.6 t -80.6 -43.69 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 73.42 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASN . 32.2 m-20 -54.64 -35.83 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.52 109.265 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.83 -37.7 88.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 64.42 109.298 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.3 mt -81.07 -23.87 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 65.22 109.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.454 ' HE3' HD11 ' A' ' 63' ' ' ILE . 26.4 mmm -89.48 -14.97 34.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 64.33 110.992 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 -72.77 -24.36 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 72.34 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' OE1' HD23 ' A' ' 85' ' ' LEU . 10.9 pt-20 -74.23 -33.23 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 63.25 110.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.762 HG21 HG23 ' A' ' 63' ' ' ILE . 30.3 mt -88.07 -15.68 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 65.45 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.13 121.8 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.13 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.2 t -92.17 -21.78 6.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.648 1.69 . . . . 73.24 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.8 p30 -119.9 -20.41 7.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.881 -1.057 . . . . 54.22 109.987 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.31 44.52 5.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 64.22 110.97 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 44.0 p-10 -105.56 7.12 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 74.41 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 32.6 p-80 52.45 53.5 12.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 70.5 109.6 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 9.1 mt-30 -149.86 118.69 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.4 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.762 HG23 HG21 ' A' ' 55' ' ' ILE . 5.0 mm -90.05 123.41 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 72.41 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.9 161.74 13.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.31 110.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.661 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.4 t80 -55.9 -19.89 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.34 111.03 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.8 -48.08 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.02 109.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 42.8 mt-10 -62.72 -29.58 70.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 64.22 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.656 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 1.6 t80 -76.11 -53.44 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.02 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 4' ' ' LEU . 6.0 mp -57.02 -40.21 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.41 109.265 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.45 -17.51 62.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.12 109.264 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.82 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -84.07 -27.05 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.55 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.768 ' HG3' HD23 ' A' ' 71' ' ' LEU . 11.0 mtm -94.63 -17.34 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 70.43 110.972 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -88.46 -16.56 32.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 62.54 110.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.731 ' HD2' HD12 ' A' ' 85' ' ' LEU . 10.9 ptp180 -82.01 6.03 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 54.11 110.253 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -71.37 -172.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 51.14 110.291 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 14.6 tp -42.17 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.2 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' GLN . 13.3 tppt? -175.07 156.11 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.31 109.335 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.6 t -68.32 113.12 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 42.1 109.983 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.32 164.72 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 55.22 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -121.51 56.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 64.4 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.19 167.19 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 75.23 109.995 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.03 110.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 70.22 110.243 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.608 ' O ' HD22 ' A' ' 86' ' ' LEU . 16.1 mt-30 -118.13 -8.2 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 75.24 110.308 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.6 -16.83 17.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 71.21 110.31 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.968 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.4 tm? -65.14 -12.22 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.54 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 83' ' ' GLN . 0.8 OUTLIER -66.33 -44.02 84.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 73.35 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.47 -16.09 13.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.3 110.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.24 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 62.43 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 4.7 m-85 -112.18 19.83 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.11 110.988 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.681 ' CG ' HD13 ' A' ' 121' ' ' LEU . 24.4 tttm -88.98 -24.06 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.02 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 116' ' ' LEU . 8.2 p -65.71 -36.05 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 73.44 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -64.6 -15.7 61.52 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.637 1.684 . . . . 71.22 110.975 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.49 ' HB2' HG23 ' A' ' 100' ' ' ILE . 46.5 t0 -92.4 94.86 9.33 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.886 -1.054 . . . . 72.13 110.007 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -74.26 -13.89 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 62.23 109.333 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.6 t-20 -76.35 -1.45 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 61.21 109.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.46 55.49 2.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 52.55 110.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -122.07 -3.02 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 62.23 109.27 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 76' ' ' LEU . . . 76.25 20.14 77.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 65.31 111.065 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' A' ' 75' ' ' GLN . 8.1 tp -135.89 144.08 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 62.12 109.284 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 93' ' ' ASP . 19.2 pt -126.38 130.17 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.45 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -114.87 -179.35 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 61.54 109.968 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 11' ' ' GLU . . . -64.78 -14.98 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 74.22 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.53 -59.15 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 24.3 mt-10 -57.44 -51.18 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 74.53 110.315 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' SD ' ' A' ' 72' ' ' MET . 1.6 tt -45.75 -44.71 14.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 64.44 109.337 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 18' ' ' LEU . 51.3 tttm -72.43 -31.9 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.35 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 104' ' ' GLU . 4.3 m-70 -61.5 -15.61 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 70.11 109.564 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.679 HG21 ' CE1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -66.1 -42.36 91.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.03 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.995 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.5 mt -56.55 -18.57 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.03 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 p -108.11 -26.39 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 60.12 110.396 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 112' ' ' ILE . 2.7 t -73.34 -1.75 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.34 109.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 109' ' ' LEU . 8.0 mt -42.22 163.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.13 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 112' ' ' ILE . . . 171.61 -172.75 44.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 71.23 110.972 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -38.85 -77.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 71.31 110.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -142.09 -178.12 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 75.43 109.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HB2' HG21 ' A' ' 91' ' ' VAL . 2.5 pt? -171.55 124.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 73.14 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 53.4 p -106.79 -170.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 73.14 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.43 -27.22 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 60.53 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.56 -0.03 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 52.44 109.335 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -38.91 -40.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 65.01 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -112.4 -67.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.23 109.315 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.16 80.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 53.23 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.08 165.12 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 75.23 109.594 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 151.75 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 74.02 109.569 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -108.58 156.07 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 70.14 109.554 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -115.47 18.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.21 109.567 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.78 114.19 27.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 74.22 109.57 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.464 ' C ' ' CD2' ' A' ' 128' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.14 109.593 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.02 -0.363 . . . . 34.43 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.44 134.33 43.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 75.43 110.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -67.96 -175.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.31 109.281 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.1 mp -57.05 176.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.34 109.276 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.1 p -112.55 162.41 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 34.53 110.426 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.972 ' HA ' HD12 ' A' ' 9' ' ' ILE . 10.9 pt-20 -45.84 -47.41 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.11 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' ALA . 55.7 mm-40 -47.89 -66.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 72.44 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' OE1' HD23 ' A' ' 4' ' ' LEU . 32.9 mt-30 -44.15 -38.61 3.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 64.21 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 6' ' ' GLU . 13.1 mt -66.65 -41.72 88.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 70.32 109.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -61.92 -24.36 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 53.11 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 30.3 mm-40 -76.36 -54.64 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 52.13 110.296 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.933 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 11.0 m-85 -62.52 -31.39 72.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.15 110.964 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -52.25 -21.89 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 73.51 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.588 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.26 -65.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 71.03 110.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . -45.36 -55.27 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 54.21 109.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 11.5 t80 -48.99 -31.58 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 64.22 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.18 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 65.41 109.261 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 109' ' ' LEU . 10.4 mp -61.62 -30.56 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 70.24 109.319 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD2' HG11 ' A' ' 35' ' ' VAL . 35.0 m-85 -91.34 -34.64 14.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.24 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 1.6 t70 -73.76 135.6 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 75.11 109.279 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HZ1' ' HB ' ' A' ' 34' ' ' THR . 10.7 mmtp -81.73 -65.4 1.02 Allowed 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.612 1.672 . . . . 74.11 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 23' ' ' ASN . 3.3 p30 -84.07 3.61 33.86 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.91 -1.043 . . . . 61.12 109.981 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 1.8 p-10 42.17 56.1 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 64.33 109.271 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.1 p-10 -88.48 -24.31 23.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 72.25 109.286 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -7.4 21.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 13.54 111.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 125.46 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 75.35 110.038 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mt -106.55 142.07 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 72.43 109.343 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -112.55 170.17 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.21 110.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -66.35 -31.36 72.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 44.33 110.008 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -67.37 -61.12 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 71.1 110.034 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.1 -41.25 87.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 52.52 110.304 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD22 ' SD ' ' A' ' 52' ' ' MET . 22.4 tp -61.35 -50.1 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 75.41 109.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -63.6 -32.95 74.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 61.42 109.259 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.751 ' HB ' ' HZ1' ' A' ' 21' ' ' LYS . 6.0 m -63.99 -19.51 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.44 110.418 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 19' ' ' PHE . 3.5 t -86.12 -37.72 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.05 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.729 ' CE ' HD21 ' A' ' 41' ' ' LEU . 62.3 mmm -65.65 -51.71 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 111.026 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -41.7 -33.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 74.33 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 t -68.91 -53.23 22.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.44 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 36' ' ' MET . 2.4 mp -40.7 -55.83 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 72.14 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.67 -25.72 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 72.52 111.014 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 HD21 ' CE ' ' A' ' 36' ' ' MET . 1.2 pt? -78.92 -175.07 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 62.1 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 p -150.78 88.56 4.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 71.55 110.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.09 140.39 25.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 74.54 110.967 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -91.17 138.86 31.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 62.23 110.004 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -43.85 -26.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 70.25 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -82.27 -47.84 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.02 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.35 -26.61 67.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 75.34 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 44' ' ' SER . 18.6 t -78.73 -38.23 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.25 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -59.06 -16.62 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 62.32 109.348 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.98 -63.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 65.4 109.244 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.5 mt -51.88 -46.16 64.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 71.34 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.622 ' SD ' HD22 ' A' ' 32' ' ' LEU . 60.5 mmm -65.82 -27.69 68.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 72.31 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.8 -47.78 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 63.55 109.337 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -60.92 -57.28 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.796 HG22 HD12 ' A' ' 63' ' ' ILE . 7.8 mt -60.74 -19.94 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 73.43 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' MET . 7.8 m-20 -86.93 126.41 34.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 51.22 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' OE1' ' A' ' 67' ' ' GLU . 57.7 t -92.19 -25.12 5.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 123.655 1.693 . . . . 74.33 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.1 -20.46 6.79 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.867 -1.063 . . . . 64.31 109.977 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.31 44.8 6.82 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 73.43 111.009 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.31 -8.88 40.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.732 . . . . 31.21 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m80 75.68 36.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.5 109.623 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -148.44 121.25 8.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.51 110.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 55' ' ' ILE . 7.4 mm -92.76 116.1 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 65.45 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.24 159.98 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 65.2 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' O ' HD13 ' A' ' 69' ' ' LEU . 62.8 t80 -58.45 -23.84 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.21 110.975 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 m -88.73 -36.89 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.14 109.977 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 57.4 mt-10 -66.12 -43.58 86.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.43 110.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 50.3 t80 -60.88 -57.24 13.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.04 111.009 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 12' ' ' PHE . 5.5 mp -56.65 -18.1 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 73.15 109.25 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -81.76 -29.23 32.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 52.41 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -70.39 -35.72 73.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 55.21 109.346 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 1.041 ' N ' HD13 ' A' ' 71' ' ' LEU . 10.0 mtm -75.16 -14.95 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 63.13 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' LEU . 5.7 t -95.89 -18.79 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.01 110.018 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -40.53 -30.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 74.01 110.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.1 mp0 -89.36 41.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 72.41 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' SER . 22.8 tp -101.94 149.02 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 73.33 109.244 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -26.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.43 109.293 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 76' ' ' LEU . 20.5 t -94.88 51.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 72.23 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -51.63 -66.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.24 109.262 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 t0 48.98 33.26 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 73.53 109.271 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -169.12 158.71 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 70.25 109.992 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.44 137.38 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 75.35 110.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -97.88 5.87 48.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.14 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.21 -27.24 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 71.03 110.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 85' ' ' LEU . 1.5 tm? -62.79 -45.67 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 63.53 109.272 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -65.63 -25.19 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 75.3 109.258 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.9 ' HA ' HD21 ' A' ' 121' ' ' LEU . 74.1 mt-10 -73.46 -18.08 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 61.41 110.285 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.29 -30.73 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 70.03 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.798 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.1 m-85 -90.31 25.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 74.23 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' HD3' HD22 ' A' ' 121' ' ' LEU . 14.5 tptt -88.5 -18.55 27.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.43 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.891 HG13 ' CD1' ' A' ' 92' ' ' PHE . 7.7 p -56.53 -32.45 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 74.25 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.891 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.9 m-30 -77.45 -19.4 56.05 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.654 1.693 . . . . 73.42 110.995 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.12 93.11 8.11 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.891 -1.052 . . . . 74.34 109.986 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -76.31 -41.62 47.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 64.22 109.296 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.85 -18.61 65.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 62.53 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.58 71.11 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 43.44 111.027 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -105.62 -21.55 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 74.25 109.265 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 95.4 -2.8 65.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 74.53 110.966 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 75' ' ' GLN . 4.4 tp -133.36 138.49 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 70.32 109.284 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -120.23 134.4 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 71.22 109.35 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 p -110.9 -175.14 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 61.32 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.933 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -59.37 -66.07 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 71.33 109.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.58 -27.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 70.42 109.291 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 102' ' ' ALA . 2.8 tt0 -76.35 -46.42 27.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 74.42 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.818 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.7 tt -61.63 -23.22 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.33 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -92.18 -14.55 28.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 72.23 109.294 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.57 -20.52 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 70.32 109.578 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 105' ' ' LEU . 27.6 m -62.43 -24.34 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 72.51 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 18' ' ' LEU . 6.7 mt -70.3 -10.51 59.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 75.01 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.63 -22.46 12.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 65.01 110.407 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -60.4 -67.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 63.3 109.984 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.479 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.2 mm 67.95 9.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 61.21 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.53 123.11 6.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 70.34 111.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -45.65 163.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 45.53 110.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -43.86 113.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.3 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.39 143.33 44.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 75.3 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 117' ' ' THR . 82.4 p -38.68 133.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 75.53 110.444 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.98 -21.54 60.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 64.31 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.55 -4.15 35.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 73.5 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 12.2 tp10 -38.9 -55.04 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 73.24 110.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -95.17 -43.32 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.11 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.37 81.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.24 110.293 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 123' ' ' HIS . 3.4 p80 -152.62 105.62 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 54.41 109.605 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 126' ' ' HIS . 14.5 t60 -161.64 130.91 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 61.31 109.602 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -46.51 96.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.32 109.614 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' HIS . 2.0 p-80 -63.13 160.39 15.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 60.53 109.592 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -103.37 -73.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.43 109.596 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.41 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.995 -0.372 . . . . 65.24 109.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.31 22.02 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 71.1 109.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -159.96 -179.36 7.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 64.25 109.337 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 69' ' ' LEU . 14.6 mt -85.29 148.85 25.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.33 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -123.97 -174.97 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 71.22 110.395 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.0 pt-20 -55.19 -30.26 59.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 74.04 110.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.86 -71.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 65.33 110.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -43.9 -40.81 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 61.52 110.304 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.91 -48.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.4 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.82 -20.29 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 54.03 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.4 -42.59 29.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.33 110.266 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.945 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.9 m-85 -68.29 -27.5 66.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 64.44 110.975 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -47.0 -36.91 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 62.14 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' O ' HD13 ' A' ' 18' ' ' LEU . 3.2 mt-10 -92.88 -57.11 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.01 110.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.29 -29.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 54.12 109.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.748 ' CE1' HD11 ' A' ' 27' ' ' ILE . 2.4 t80 -77.74 -50.41 12.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 74.42 111.012 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.77 -33.97 67.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.35 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.071 HD23 ' CD1' ' A' ' 109' ' ' LEU . 7.4 mp -51.59 -28.25 13.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.25 109.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.0 -51.53 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 64.23 111.042 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.0 t70 -49.75 136.68 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 72.4 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.46 -65.56 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.605 1.669 . . . . 72.34 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.7 p30 -82.8 -7.15 59.68 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 117.968 -1.015 . . . . 61.23 110.027 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 49.6 t30 61.28 54.39 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.02 109.282 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 25.7 p-10 -94.02 -27.31 16.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 73.03 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.81 -21.35 13.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 51.04 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 1.4 p -109.6 122.66 47.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 73.43 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 ' CE1' ' A' ' 16' ' ' PHE . 10.1 mt -106.12 143.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 74.03 109.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -115.85 146.52 41.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 71.33 110.001 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -42.4 -31.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 62.44 109.991 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -65.3 -64.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 73.24 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.1 -32.94 56.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 73.12 110.324 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.4 tt -66.39 -52.57 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.52 109.298 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.2 71.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 65.1 109.296 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -51.04 -36.94 42.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 73.04 110.39 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -80.09 -33.9 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 75.51 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.98 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.2 mmt -59.82 -48.27 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 73.23 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' THR . 3.9 ptp180 -55.0 -30.67 59.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 73.4 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -26.86 33.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 64.2 109.984 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.98 HD12 ' CE ' ' A' ' 36' ' ' MET . 4.4 mt -64.22 -54.48 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 44.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.37 -35.08 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 63.32 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.2 pt? -103.98 163.19 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 73.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 88.33 52.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 71.24 109.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.02 140.83 25.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 73.44 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.8 m -78.64 151.33 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 52.35 110.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -42.06 -51.46 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.59 74.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.11 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.67 -29.07 51.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 74.13 110.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 44' ' ' SER . 4.8 t -77.77 -45.01 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.03 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -28.29 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 73.22 109.354 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.46 -39.03 91.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 75.33 109.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -80.87 -32.49 34.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.43 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.564 ' HE1' HG12 ' A' ' 63' ' ' ILE . 57.2 mmm -73.12 -23.13 60.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 71.02 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.4 -49.59 76.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.3 109.318 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.19 -54.26 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 75.53 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.031 HG22 HD12 ' A' ' 63' ' ' ILE . 9.5 mt -57.64 -25.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 63.51 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.29 128.32 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 64.31 109.268 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -92.17 -27.77 4.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-O 123.619 1.676 . . . . 72.34 109.318 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.71 -20.49 8.26 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.931 -1.033 . . . . 74.23 110.012 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.84 50.07 3.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 62.45 111.037 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.82 -4.21 16.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 72.5 109.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 66.83 50.24 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 62.35 109.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' C ' HD13 ' A' ' 63' ' ' ILE . 19.4 mt-30 -149.68 117.85 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 61.55 110.315 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 55' ' ' ILE . 5.9 mm -94.47 119.98 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 63.34 109.323 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -103.67 155.5 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 73.22 110.256 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.956 ' O ' HD13 ' A' ' 69' ' ' LEU . 28.8 t80 -44.6 -25.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.4 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -77.75 -54.49 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 73.25 110.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.16 -55.19 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 61.51 110.285 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -45.03 -40.02 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 73.31 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 65' ' ' PHE . 9.7 mp -69.42 -44.79 70.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.41 109.302 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 74' ' ' ARG . . . -49.93 -40.79 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 74.04 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 55' ' ' ILE . 16.6 mt -44.87 -37.78 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 74.54 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 5.7 mtm -92.47 -23.8 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.12 110.935 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 m -69.14 -8.67 47.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 65.32 109.994 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.524 HH21 ' HB2' ' A' ' 81' ' ' SER . 4.4 mtp85 -83.25 -57.04 3.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 63.11 110.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.74 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 62.2 110.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.522 ' H ' ' NE2' ' A' ' 83' ' ' GLN . 7.6 tp -173.96 150.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 63.15 109.336 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -65.38 -15.79 62.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 63.15 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.2 t -123.28 102.9 8.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 73.53 109.98 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -175.28 116.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.2 109.257 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.79 59.18 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 72.3 109.31 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.524 ' HB2' HH21 ' A' ' 74' ' ' ARG . 6.0 p -161.84 157.92 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.12 109.976 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 8.9 tt0 -38.92 121.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 63.41 110.345 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 86' ' ' LEU . 30.1 mt-30 -116.02 -10.65 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.24 110.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.38 -8.87 44.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.13 110.291 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.7 tm? -61.58 -24.09 66.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 72.13 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -64.95 -12.62 51.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.33 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.814 ' HG2' HD13 ' A' ' 86' ' ' LEU . 3.4 mm-40 -81.05 -30.18 34.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 75.23 110.318 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 -11.44 54.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 65.41 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -116.56 27.68 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 74.31 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.773 ' HE3' HD21 ' A' ' 121' ' ' LEU . 7.7 tptp -87.66 -31.85 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 73.52 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG22 HD22 ' A' ' 116' ' ' LEU . 2.7 p -44.02 -27.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.03 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.894 ' HB2' HG21 ' A' ' 100' ' ' ILE . 9.9 m-30 -75.19 -44.56 45.83 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 123.616 1.674 . . . . 74.3 111.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' LYS . 4.7 t0 -69.14 92.42 0.55 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 117.942 -1.028 . . . . 50.45 109.991 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.28 -13.65 32.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 63.43 109.331 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.3 OUTLIER -82.3 -9.68 59.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 54.42 109.327 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 71.45 62.44 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 40.31 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.03 -21.88 11.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 74.02 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 86' ' ' LEU . . . 79.3 -4.43 63.19 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 62.22 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 100' ' ' ILE . 8.7 tt -134.07 138.9 45.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.32 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.894 HG21 ' HB2' ' A' ' 92' ' ' PHE . 7.9 pt -116.47 150.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 72.34 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -112.61 -170.66 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 72.32 109.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.945 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -78.65 -24.38 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 60.01 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.38 -14.27 41.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 62.41 109.341 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' OE1' HG22 ' A' ' 100' ' ' ILE . 5.5 tt0 -86.1 -64.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 61.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.938 ' O ' HG12 ' A' ' 108' ' ' VAL . 3.5 pp -58.17 -23.89 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.43 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 109' ' ' LEU . 65.3 tttt -83.03 -32.79 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 74.14 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.3 t60 -86.09 -15.63 40.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.43 109.656 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 105' ' ' LEU . 3.5 p -64.06 -28.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 65.45 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.071 ' CD1' HD23 ' A' ' 18' ' ' LEU . 8.1 mt -43.65 -27.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 62.15 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 108' ' ' VAL . 1.6 p -102.94 -27.23 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.23 110.412 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' VAL . 41.3 t -55.46 -18.73 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 72.42 110.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' LEU . 1.7 mp -40.7 145.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 60.44 109.301 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.36 -166.37 34.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 54.4 111.053 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.82 179.03 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 74.21 110.267 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm 52.24 40.16 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 62.34 109.315 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 117' ' ' THR . 6.1 mt -127.97 130.0 47.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 72.03 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.8 p -156.67 150.59 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 61.43 110.431 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 1.74 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 62.23 109.305 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.13 22.1 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 60.13 109.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.9 ' C ' HD23 ' A' ' 121' ' ' LEU . 10.0 tt0 -59.62 -57.9 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 53.2 110.328 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD23 ' C ' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -114.76 -9.24 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 75.24 109.269 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.81 54.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.41 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -90.85 100.3 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 50.21 109.624 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 126' ' ' HIS . 1.7 t60 -157.35 106.3 2.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 72.14 109.565 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 59.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 55.31 109.616 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 9.2 t60 -117.36 87.61 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.44 109.634 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -63.28 126.87 28.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 74.22 109.616 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 71.31 109.587 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.995 -0.372 . . . . 73.43 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 49.83 52.46 14.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 75.24 110.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.07 148.22 30.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.11 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 13.6 mt -80.34 129.67 34.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.23 109.318 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -119.19 -178.44 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.11 110.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.2 -46.96 65.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.42 110.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -70.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.32 110.266 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -44.35 -58.56 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 74.52 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 63.6 mt -41.28 -48.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 73.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.45 92.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 52.44 109.297 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' GLN . 68.7 mm-40 -56.51 -32.65 65.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 63.24 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.846 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 37.4 m-85 -80.04 -33.89 38.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 74.21 110.999 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mtmp? -47.19 -25.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.2 109.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 18' ' ' LEU . 1.6 mt-10 -90.95 -61.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 63.43 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.67 -29.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 54.31 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' HD11 ' A' ' 27' ' ' ILE . 7.8 t80 -72.89 -59.08 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.21 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -27.1 50.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 32.35 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.991 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.0 mp -55.97 -32.14 63.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.41 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 32' ' ' LEU . 13.6 m-85 -99.51 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.34 110.974 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.92 136.34 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.23 109.276 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -65.52 1.0 Allowed 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 123.602 1.668 . . . . 73.41 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 3.7 p30 -85.4 3.2 41.08 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.913 -1.041 . . . . 75.24 109.959 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p-10 42.22 59.4 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 70.33 109.309 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 12.0 p-10 -91.95 -15.61 27.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 53.25 109.271 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.87 10.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 74.54 111.014 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' ND2' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -111.88 142.85 43.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 63.44 110.011 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 16' ' ' PHE . 15.9 mt -128.3 144.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.21 109.281 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.5 p -115.9 148.44 40.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.3 109.995 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.08 -33.66 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 62.22 109.983 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -61.9 -64.2 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 65.13 109.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.83 -38.11 64.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.25 110.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 19' ' ' PHE . 12.0 tp -62.74 -45.23 93.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 72.51 109.299 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.45 98.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 74.4 109.352 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -46.73 -26.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.25 110.36 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.3 t -83.36 -41.72 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 71.24 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 2.8 mmt -58.93 -42.57 90.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 74.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.2 ptp180 -59.85 -24.72 64.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 70.44 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -48.8 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 73.33 109.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 35' ' ' VAL . 3.2 mp -48.25 -60.19 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 65.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 165.81 -29.47 0.2 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 55.12 110.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -86.3 158.43 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 74.23 109.252 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -126.61 87.52 56.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 70.04 109.978 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 141.07 26.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 74.24 110.983 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.2 144.19 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 63.45 110.005 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -38.95 -38.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 73.34 110.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.13 40.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 53.14 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' SER . 2.5 tm-20 -56.38 -31.44 63.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 65.54 110.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 44' ' ' SER . 3.0 t -75.56 -47.56 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 72.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -46.92 -32.14 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 73.42 109.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.69 -41.89 98.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 62.41 109.274 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.6 mt -77.85 -32.8 52.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 71.13 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.563 ' HE1' HG12 ' A' ' 63' ' ' ILE . 58.9 mmm -72.48 -23.97 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.4 110.994 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.98 -50.38 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.44 109.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.35 -52.68 52.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 72.22 110.296 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.998 HG22 HD12 ' A' ' 63' ' ' ILE . 11.9 mt -59.82 -25.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' MET . 6.2 m-20 -75.81 127.36 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 64.13 109.268 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.19 -33.95 5.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.665 1.698 . . . . 74.24 109.373 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.99 -20.65 10.42 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.916 -1.038 . . . . 62.43 109.961 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.25 53.1 3.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 41.54 111.019 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 50.4 p30 -109.96 -13.63 14.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 63.31 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.6 m-70 80.73 45.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 61.32 109.595 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 25.4 mt-30 -149.05 117.95 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.13 110.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.998 HD12 HG22 ' A' ' 55' ' ' ILE . 7.8 mm -92.35 120.41 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 74.12 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.24 155.27 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.13 110.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 13' ' ' LYS . 8.1 t80 -47.33 -25.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.13 111.034 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -76.56 -50.47 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 75.35 109.988 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ALA . 15.1 mt-10 -57.33 -53.94 52.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.23 110.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -45.18 -42.32 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 64.52 110.981 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 12' ' ' PHE . 8.3 mp -76.94 -29.45 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.55 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.46 -20.22 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.01 109.276 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 55' ' ' ILE . 19.4 mt -60.88 -35.37 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.14 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.601 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 8.8 mtm -99.31 -14.51 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 44.44 110.961 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -82.86 -29.85 29.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.31 110.024 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -86.57 -14.4 42.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 65.32 110.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 71' ' ' LEU . 15.4 mt-30 -61.81 -13.52 24.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 73.11 110.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 62.21 109.34 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -117.75 -5.84 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 73.22 109.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 8.4 t -38.91 -46.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.51 110.025 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 81' ' ' SER . 5.9 p30 -57.97 141.37 49.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 61.22 109.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -40.31 -29.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 63.24 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 79' ' ' ASN . 14.5 m -159.23 138.3 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 75.24 109.999 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.58 170.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.44 110.288 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' OE1' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.57 -173.34 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 73.12 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' LEU . 20.9 mp0 -94.08 -20.63 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 75.42 110.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.75 HD13 ' C ' ' A' ' 85' ' ' LEU . 1.6 tm? -39.99 -63.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 62.01 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -50.85 -54.39 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.31 109.296 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 121' ' ' LEU . 8.0 mt-10 -51.88 -20.75 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.03 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -25.09 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 75.04 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 85' ' ' LEU . 12.2 m-85 -101.96 8.9 40.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 73.1 111.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.952 ' HE2' HD11 ' A' ' 121' ' ' LEU . 9.0 tppt? -64.59 -20.68 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 65.32 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 116' ' ' LEU . 2.6 m -54.1 -47.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 51.41 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 108' ' ' VAL . 17.7 m-30 -59.93 -26.22 65.78 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.594 1.664 . . . . 55.44 110.978 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' HB3' ' CD ' ' A' ' 90' ' ' LYS . 3.0 t0 -82.42 77.4 9.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 117.911 -1.043 . . . . 75.31 110.022 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -74.73 -14.76 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.43 109.299 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.0 p30 -85.99 -16.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.1 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.63 72.86 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 64.21 110.948 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 65.5 m-20 -111.61 -21.78 11.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 62.53 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.809 ' H ' ' HZ3' ' A' ' 90' ' ' LYS . . . 92.99 16.14 49.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 74.52 111.012 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 tt -164.98 139.9 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 74.45 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.874 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -114.5 150.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 64.45 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 t -111.23 -164.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 72.5 109.949 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -77.98 -66.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 42.31 109.317 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.09 -26.37 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.43 109.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.498 ' OE2' HG22 ' A' ' 100' ' ' ILE . 3.7 tt0 -64.12 -68.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.43 110.262 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.797 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.9 pp -59.07 -19.75 47.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 71.32 109.298 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.68 -38.64 47.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 64.51 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -75.8 -15.75 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 61.42 109.556 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.969 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -58.66 -32.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 63.52 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.991 ' CD1' HD23 ' A' ' 18' ' ' LEU . 5.9 mt -60.69 -24.44 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 52.23 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 -11.28 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.42 110.376 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.6 t -60.41 -66.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 72.43 110.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.5 mm 69.72 7.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.23 109.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 116' ' ' LEU . . . -74.02 123.03 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 53.22 110.971 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' LEU . 13.5 mt-10 -83.78 -36.62 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 74.51 110.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' NZ ' ' CB ' ' A' ' 115' ' ' LYS . 6.0 mtpm? -56.79 88.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 55.02 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 91' ' ' VAL . 3.9 pp -170.86 155.53 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 54.01 109.272 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 116' ' ' LEU . 2.3 p -157.89 159.85 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 55.2 110.389 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -87.95 -5.25 58.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.32 109.267 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 123' ' ' HIS . . . -92.03 22.99 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 61.34 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.626 ' C ' HD23 ' A' ' 121' ' ' LEU . 11.4 mt-10 -70.6 -60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 62.14 110.343 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.952 HD11 ' HE2' ' A' ' 90' ' ' LYS . 2.4 mt -110.31 -10.63 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 73.24 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 87' ' ' GLU . 78.1 mt-10 -72.74 -1.32 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.23 110.337 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.413 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 5.3 m170 -68.79 -171.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.44 109.591 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -83.62 105.55 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 63.31 109.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -133.8 -76.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.43 109.581 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -114.19 -76.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 61.41 109.597 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.7 t60 66.76 36.66 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 74.42 109.618 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 128' ' ' HIS . 10.4 t-80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 64.01 109.632 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.03 -0.359 . . . . 61.52 110.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.53 -69.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 75.44 110.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -133.75 160.2 38.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 71.01 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.4 mp -54.87 175.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 75.11 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -100.59 160.78 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 64.3 110.408 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 73.41 110.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 14.2 mt-10 -50.89 -50.78 56.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 64.15 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -55.94 -56.26 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.43 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.086 HG23 ' CE1' ' A' ' 65' ' ' PHE . 24.7 mt -49.85 -43.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 73.13 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.03 -40.6 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 63.03 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.43 -30.03 65.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.34 110.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.963 ' CE2' ' HB2' ' A' ' 102' ' ' ALA . 15.2 m-85 -75.33 -28.53 59.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 72.54 111.019 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -47.95 -32.75 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 64.23 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -92.84 -58.68 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.05 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.87 -30.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 65.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 7.1 t80 -81.82 -45.4 15.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 70.05 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -56.65 -31.74 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.1 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 109' ' ' LEU . 8.5 mp -56.99 -29.44 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 73.2 109.304 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.96 -50.44 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 63.45 111.006 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.98 137.43 27.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.33 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -83.57 -64.82 1.09 Allowed 'General case' 0 C--O 1.215 -0.748 0 CA-C-O 123.578 1.656 . . . . 74.04 109.249 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.0 p30 -84.95 -6.78 59.33 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.89 -1.052 . . . . 74.21 110.006 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 67.28 55.32 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.24 109.315 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 42.1 p-10 -91.15 -21.11 21.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 70.23 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.58 -26.31 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 62.13 111.028 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.98 142.82 46.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 64.1 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.78 147.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 75.11 109.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -112.09 155.94 23.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 73.11 109.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -41.18 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 65.33 110.0 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -65.55 -62.3 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 54.32 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.76 -24.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.43 110.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.82 -46.71 16.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 73.34 109.29 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -64.46 -25.18 67.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.31 109.293 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -72.87 -22.25 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 64.43 110.44 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.2 t -83.66 -50.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 75.14 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.826 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.0 mmt -47.17 -54.41 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 62.41 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' THR . 14.6 ptm180 -43.62 -40.48 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.31 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -62.46 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.23 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD23 HD13 ' A' ' 112' ' ' ILE . 4.7 mp -60.57 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 62.32 109.296 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -36.26 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 73.01 110.991 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.826 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -89.55 163.02 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 73.14 109.271 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.2 p -143.05 93.81 6.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 62.42 110.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 142.02 27.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 74.51 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.917 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.89 147.74 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 60.34 109.984 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -45.44 -54.8 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 53.41 110.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -25.67 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 44.5 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' SER . 46.3 mm-40 -81.65 -24.1 36.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 73.23 110.264 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 44' ' ' SER . 11.0 t -82.25 -42.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.41 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -57.88 -18.16 20.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 63.42 109.298 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -82.04 -51.48 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 60.21 109.304 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.9 mt -67.77 -21.11 65.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 63.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.498 ' HE1' HG12 ' A' ' 63' ' ' ILE . 49.4 mmm -89.57 -13.51 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.04 111.026 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.66 -28.37 63.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.2 109.302 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' CG ' HG13 ' A' ' 55' ' ' ILE . 12.7 pt-20 -76.97 -38.61 52.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 75.41 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.741 HG22 HD12 ' A' ' 63' ' ' ILE . 39.8 mt -82.23 -19.72 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.44 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.92 119.21 23.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 74.24 109.323 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -92.18 -22.54 5.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 123.621 1.677 . . . . 64.11 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.7 p30 -117.12 -20.0 9.46 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 117.919 -1.038 . . . . 71.4 109.995 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 82.25 50.2 4.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 51.32 110.93 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.5 p-10 -108.13 -4.75 17.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 72.53 109.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.92 49.71 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 62.01 109.591 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.7 mt-30 -152.02 118.73 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 72.15 110.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 HG22 ' A' ' 55' ' ' ILE . 7.9 mm -89.22 118.08 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.24 109.302 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.41 174.86 7.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 70.04 110.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.086 ' CE1' HG23 ' A' ' 9' ' ' ILE . 1.6 t80 -68.36 -27.88 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 61.52 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -78.3 -48.34 15.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 42.4 110.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ALA . 86.9 mt-10 -59.7 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.24 110.295 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD1' HG21 ' A' ' 63' ' ' ILE . 17.4 t80 -44.48 -41.9 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 74.21 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 65' ' ' PHE . 10.6 mp -78.14 -31.28 49.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 61.44 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -58.25 -30.69 66.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 51.05 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 55' ' ' ILE . 46.9 mt -62.16 -27.64 69.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 75.41 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 12' ' ' PHE . 38.2 mtm -104.28 -1.8 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 64.1 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.464 ' OG ' ' CD1' ' A' ' 4' ' ' LEU . 1.5 m -106.64 -18.76 13.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.12 109.994 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -84.37 9.41 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.51 110.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.793 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.9 mp0 -58.44 -176.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 71.01 110.315 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.532 ' N ' HE22 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -69.61 72.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 62.44 109.287 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 79' ' ' ASN . 7.6 ptpt -175.11 141.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 75.42 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t 39.46 30.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.04 109.994 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 77' ' ' LYS . 21.3 t-20 -175.27 116.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 62.54 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -121.51 21.68 10.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 62.54 109.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.8 t -76.21 -73.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 73.1 109.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -111.43 113.37 25.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 74.22 110.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.541 ' NE2' ' CD2' ' A' ' 86' ' ' LEU . 30.7 mm100 -120.23 11.64 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.54 110.254 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.4 -7.65 31.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 61.41 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 89' ' ' PHE . 2.7 tm? -84.03 -38.1 21.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 50.43 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.541 ' CD2' ' NE2' ' A' ' 83' ' ' GLN . 3.8 pp -49.96 -30.75 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 70.22 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' A' ' 86' ' ' LEU . 25.6 mt-10 -87.87 -43.18 12.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 73.14 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.03 -10.3 56.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.52 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 85' ' ' LEU . 2.1 t80 -119.18 22.0 12.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 64.21 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.431 ' CE ' ' HB3' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -76.99 -11.76 59.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.15 109.287 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 92' ' ' PHE . 2.9 p -40.36 -30.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 50.05 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.978 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.2 m-30 -86.0 -55.99 3.68 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.689 1.709 . . . . 63.53 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.692 ' HB2' HG23 ' A' ' 100' ' ' ILE . 11.9 t0 -62.45 91.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 117.892 -1.051 . . . . 54.32 109.958 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -82.3 -14.05 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 61.42 109.332 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -87.91 11.93 14.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 62.34 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.05 63.15 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 72.33 111.011 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.6 -21.58 12.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.31 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.11 -16.75 54.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 74.42 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 75' ' ' GLN . 1.9 tp -111.22 143.22 42.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 53.3 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -136.45 138.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 42.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 p -112.6 -174.87 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 70.5 110.014 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -60.84 -62.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.34 109.249 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 106' ' ' LYS . . . -46.87 -60.28 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 73.41 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -44.07 -27.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 64.22 110.299 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.3 tt -86.01 -40.54 15.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 71.32 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -62.04 -24.0 66.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 64.2 109.263 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -86.74 -15.79 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.41 109.583 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.978 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -60.07 -29.82 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.43 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.781 HD13 HD23 ' A' ' 18' ' ' LEU . 4.9 mt -63.14 -19.06 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 72.44 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.0 OUTLIER -106.78 -1.67 22.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 71.41 110.4 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -70.82 -67.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.14 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.679 HD13 HD23 ' A' ' 39' ' ' LEU . 2.7 mm 61.28 13.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.14 109.335 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . -70.98 74.86 0.62 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 70.14 111.027 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.521 ' O ' HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -36.07 -59.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 75.43 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -44.25 136.52 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 64.03 109.306 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 114' ' ' GLU . 1.5 pt? -174.83 134.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 72.11 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.7 p -148.63 -175.4 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.53 110.383 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.36 -35.65 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 71.44 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.69 17.91 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.13 109.301 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 3.5 tp10 -69.06 -29.12 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.43 110.245 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.493 ' O ' ' CE1' ' A' ' 123' ' ' HIS . 1.1 pt? -115.34 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 63.31 109.323 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -53.94 111.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.14 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 121' ' ' LEU . 23.9 m80 -123.31 153.45 40.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.25 109.609 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 37.7 m80 -40.71 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.12 109.628 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 16.5 m170 -164.49 158.6 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.31 109.6 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -108.33 142.92 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.2 109.597 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.42 164.68 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 65.14 109.568 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 71.11 109.569 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.996 -0.372 . . . . 42.52 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -115.15 44.43 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 72.14 109.956 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -62.31 145.66 53.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 61.01 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD13 HD23 ' A' ' 69' ' ' LEU . 9.3 mt -71.39 141.58 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 72.02 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -116.82 167.04 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 61.22 110.413 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.22 -42.85 61.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.44 110.32 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.81 -56.17 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.24 110.286 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.7 mm-40 -58.86 -54.3 48.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 70.44 110.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.577 HG23 ' CZ ' ' A' ' 65' ' ' PHE . 38.5 mt -49.46 -36.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 71.1 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -31.82 68.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 61.2 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 52.7 mt-10 -71.9 -48.21 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.31 110.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.75 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 33.7 m-85 -58.68 -36.52 74.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 75.1 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -44.7 -40.65 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 64.54 109.269 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.2 mt-10 -92.83 -53.22 4.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 74.34 110.315 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . . . -40.47 -30.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.23 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 25' ' ' GLY . 3.8 t80 -75.82 -57.05 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 71.23 110.962 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.13 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 72.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.761 HD23 ' CD1' ' A' ' 109' ' ' LEU . 10.1 mp -57.02 -35.11 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.04 109.262 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.16 -48.19 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.45 110.986 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 2.1 t70 -42.77 134.27 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 72.23 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 34' ' ' THR . 6.5 mmmt -82.03 -65.43 1.01 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.635 1.684 . . . . 54.41 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -82.33 -7.42 59.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.911 -1.042 . . . . 64.22 110.025 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 8.5 t30 65.79 50.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 65.52 109.292 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p-10 -86.55 -18.47 31.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.12 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 16' ' ' PHE . . . 114.44 -24.84 10.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 63.21 111.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.1 m -117.89 169.56 9.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 73.11 110.003 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.44 146.74 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.3 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.8 p -115.44 148.31 39.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 74.43 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -41.34 -53.77 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 64.25 110.006 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -52.37 -61.3 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.21 110.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 mt-10 -53.04 -27.1 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 75.41 110.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.82 -44.43 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 63.42 109.353 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.46 -23.14 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.4 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.804 HG21 ' HE2' ' A' ' 21' ' ' LYS . 1.1 m -71.84 -24.65 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.21 110.377 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 31' ' ' GLU . 56.6 t -83.92 -43.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 63.51 109.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.79 ' SD ' HD21 ' A' ' 41' ' ' LEU . 4.2 mmt -51.49 -51.58 53.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 75.21 110.987 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 34' ' ' THR . 9.3 ptm180 -46.43 -34.97 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 72.1 110.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 t -66.76 -41.13 88.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 74.55 109.948 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 35' ' ' VAL . 5.0 mp -64.81 -51.42 62.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 72.55 109.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.02 -42.63 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 72.41 111.003 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD21 ' SD ' ' A' ' 36' ' ' MET . 0.5 OUTLIER -82.47 161.98 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.767 . . . . 75.22 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -142.31 93.57 7.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 40.02 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.2 Cg_endo -75.03 142.04 27.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 74.14 110.982 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -75.17 139.86 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 63.22 109.986 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -39.52 -46.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 54.11 110.269 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -48.3 77.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 55.34 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -32.57 64.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 71.31 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 44' ' ' SER . 2.8 t -73.73 -48.88 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 61.41 109.335 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.29 -28.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 75.33 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -67.52 -63.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 50.12 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' N ' HD23 ' A' ' 51' ' ' LEU . 4.2 mt -50.94 -44.95 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 63' ' ' ILE . 89.6 mmm -63.04 -29.76 71.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 75.1 111.01 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.59 -30.97 65.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 54.34 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -77.91 -70.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.44 110.336 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.745 ' CG2' HD12 ' A' ' 63' ' ' ILE . 39.0 mt -48.77 -24.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 52.13 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.64 122.13 14.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 71.23 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.442 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 55.1 t -92.19 -28.05 4.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-O 123.647 1.689 . . . . 75.31 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.27 -20.57 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.888 -1.054 . . . . 70.31 109.98 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.86 51.81 3.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 70.52 111.008 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 49.3 p30 -114.0 -11.5 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.8 m-70 73.96 48.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.21 109.614 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 23.6 mt-30 -150.34 118.63 6.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.4 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.745 HD12 ' CG2' ' A' ' 55' ' ' ILE . 18.4 mm -85.02 133.78 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 64.2 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -112.95 162.43 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 70.53 110.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 26.5 t80 -53.7 -20.06 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 54.13 111.029 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.2 p -86.7 -57.65 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 34.03 110.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 47.1 mt-10 -49.37 -36.75 22.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 62.42 110.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.87 -62.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.44 111.058 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 HD13 ' A' ' 4' ' ' LEU . 5.7 mp -57.15 -19.63 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.31 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.16 -36.21 69.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 65.34 109.236 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 15.1 mt -58.53 -39.02 78.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 62.42 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.615 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 18.6 mtm -91.63 10.3 28.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 64.14 110.968 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 t -117.03 -8.7 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 72.35 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -85.34 -15.55 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.03 110.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.826 ' CD ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -78.13 -17.58 56.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 72.24 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mp -42.14 -34.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 75.43 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -40.62 116.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 65.24 109.325 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 48.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 61.21 109.986 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -175.49 129.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 64.12 109.246 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.17 91.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 62.02 109.344 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 t -112.15 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.25 110.052 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.6 tp10 -80.61 -72.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 73.12 110.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 40.39 28.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 75.21 110.254 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' GLU . 14.6 tt0 -98.07 -37.64 9.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 63.2 110.339 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.1 tm? -93.6 -20.55 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 51.43 109.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.826 HD23 ' CD ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -73.58 -52.3 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 74.13 109.269 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -47.15 -27.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 71.43 110.337 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.41 -45.4 46.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.1 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 71' ' ' LEU . 6.6 m-85 -84.3 11.56 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 71.21 111.039 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 121' ' ' LEU . 11.6 tttm -85.39 -11.6 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.13 109.356 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.807 HG13 ' CD1' ' A' ' 92' ' ' PHE . 8.9 p -57.55 -22.02 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 43.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 108' ' ' VAL . 1.9 m-30 -82.7 -18.87 39.37 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.671 1.701 . . . . 63.11 110.992 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 100' ' ' ILE . 15.7 t0 -94.94 103.35 15.21 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.885 -1.055 . . . . 75.45 109.968 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -90.9 -14.07 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.13 109.302 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 1.8 p30 -89.5 15.36 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 70.43 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.571 ' HA2' ' HZ1' ' A' ' 90' ' ' LYS . . . 39.62 61.44 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 72.2 110.982 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -108.58 -2.26 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 73.33 109.337 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.64 32.39 46.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 64.44 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 75' ' ' GLN . 4.6 tp -165.67 137.14 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 50.21 109.318 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.4 pp -141.97 148.34 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 65.13 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.4 p -115.24 -176.94 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.31 110.007 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -51.86 -45.38 64.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.21 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -61.52 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 72.42 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.55 -26.02 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 50.52 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.777 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.0 tt -82.54 -28.23 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 73.25 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' ALA . 21.3 tttm -74.24 -32.96 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.52 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 111' ' ' SER . 21.0 t-80 -78.89 -15.64 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.53 109.609 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.91 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -58.95 -20.82 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 71.31 109.312 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.761 ' CD1' HD23 ' A' ' 18' ' ' LEU . 6.3 mt -69.07 -37.01 78.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 53.54 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -106.56 -1.63 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 52.31 110.382 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.2 t -75.93 -1.72 26.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.42 110.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.729 HG22 ' N ' ' A' ' 113' ' ' GLY . 5.2 mt -41.75 -91.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 63.41 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.729 ' N ' HG22 ' A' ' 112' ' ' ILE . . . 82.71 -139.28 19.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 51.34 111.019 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.22 -174.82 5.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 75.45 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -46.55 132.79 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 62.41 109.332 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.422 HD12 ' CG2' ' A' ' 91' ' ' VAL . 2.0 pt? -132.11 155.0 48.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 74.35 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.6 p -141.05 177.1 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 64.13 110.407 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -96.42 14.85 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.24 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -99.43 16.44 23.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 74.02 109.31 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -48.11 -48.07 34.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 63.03 110.332 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 90' ' ' LYS . 1.8 pt? -115.52 -38.24 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.21 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.47 79.57 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 70.1 110.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -80.11 75.92 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 54.21 109.574 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.73 ' CD2' ' CD2' ' A' ' 125' ' ' HIS . 15.4 t60 -109.43 169.87 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.32 109.59 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.73 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 21.7 p80 -46.65 110.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.41 109.575 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -64.14 125.4 24.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 74.45 109.612 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -139.65 -177.98 5.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 65.15 109.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.41 109.6 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.016 -0.364 . . . . 72.24 110.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -98.02 9.1 43.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 110.031 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -156.55 172.43 18.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 70.1 109.265 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 12' ' ' PHE . 6.2 mt -79.42 130.33 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.5 109.276 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 p -123.67 -178.62 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 75.52 110.41 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -57.39 -38.85 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.24 110.262 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.9 mt-10 -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.42 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.7 mm100 -57.49 -55.92 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 54.42 110.284 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' CE1' ' A' ' 65' ' ' PHE . 55.5 mt -47.27 -44.6 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 63.01 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -53.64 -36.93 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 62.53 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' GLN . 17.5 mt-10 -77.21 -41.81 39.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 64.42 110.314 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.909 ' CZ ' ' HB2' ' A' ' 102' ' ' ALA . 25.7 m-85 -63.86 -28.06 69.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 63.21 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -47.71 -42.94 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 65.24 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.9 mt-10 -86.19 -54.95 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 70.13 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 106' ' ' LYS . . . -40.61 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 71.35 109.263 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' N ' ' C ' ' A' ' 14' ' ' GLU . 2.8 t80 -81.26 -53.43 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 63.15 110.996 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.92 -26.55 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 62.12 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 14' ' ' GLU . 10.0 mp -56.48 -36.18 68.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 71.35 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.091 ' CD1' HG11 ' A' ' 35' ' ' VAL . 78.0 m-85 -88.01 -40.44 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.11 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.69 136.79 50.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.23 109.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -82.84 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.624 1.678 . . . . 73.22 109.308 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -85.58 -6.28 59.18 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.907 -1.044 . . . . 72.24 109.95 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 67.0 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 62.51 109.29 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 37.3 p-10 -89.85 -24.66 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 53.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.03 -18.63 16.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.538 1.149 . . . . 74.43 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 150.03 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 64.05 110.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 16' ' ' PHE . 12.1 mt -121.97 142.32 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.23 109.273 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -115.95 157.22 24.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 74.34 110.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -46.6 -45.21 18.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 74.34 109.949 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.1 t -63.2 -63.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 74.3 110.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.24 -22.58 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 72.03 110.292 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 tp -75.64 -50.01 16.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -62.11 -21.39 64.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 62.42 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 18.9 m -77.19 -23.86 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 54.03 110.366 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.091 HG11 ' CD1' ' A' ' 19' ' ' PHE . 38.7 t -84.64 -35.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.41 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.949 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.9 mmt -62.84 -42.71 99.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 71.22 110.994 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -55.62 -26.66 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.42 110.29 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -85.91 -18.94 31.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.51 110.025 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.949 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.7 mt -81.99 -72.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 65.24 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.34 39.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 75.14 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' A' ' 43' ' ' PRO . 1.5 pp -173.45 165.7 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 63.32 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -141.05 93.96 8.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.33 110.034 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HD3' HD12 ' A' ' 41' ' ' LEU . 18.3 Cg_endo -74.96 141.59 26.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 65.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.894 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m -73.36 143.19 46.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 73.43 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.31 -51.69 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 70.14 110.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.72 71.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 63.4 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 4.8 mm-40 -75.6 -25.47 57.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 74.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 44' ' ' SER . 5.4 t -80.32 -45.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 73.02 109.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -49.76 -29.86 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.11 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.73 -38.96 93.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 75.31 109.257 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.8 mt -79.96 -36.0 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.4 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.87 ' CE ' HD11 ' A' ' 63' ' ' ILE . 67.7 mmm -71.02 -22.89 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 70.33 110.972 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.43 -49.21 74.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 40.32 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.23 -47.97 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.869 HG22 HD12 ' A' ' 63' ' ' ILE . 16.0 mt -56.69 -23.42 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 60.21 109.278 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.72 127.54 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 71.21 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 67' ' ' GLU . 53.6 t -91.98 -28.85 4.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 123.631 1.681 . . . . 63.14 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -115.32 -20.54 10.28 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.902 -1.047 . . . . 62.55 109.963 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.89 49.84 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 64.51 110.974 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 61' ' ' HIS . 52.3 p-10 -106.62 -15.62 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 75.33 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m-70 78.28 45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 65.24 109.617 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -151.54 117.82 5.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 55.43 110.324 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.87 HD11 ' CE ' ' A' ' 52' ' ' MET . 2.6 mm -79.72 126.18 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.24 109.281 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.45 153.36 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 73.21 110.279 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.775 ' CE1' HG23 ' A' ' 9' ' ' ILE . 2.0 t80 -46.61 -24.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 74.52 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -82.05 -47.18 12.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 63.35 110.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 57' ' ' VAL . 33.4 mt-10 -63.14 -55.08 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 71.31 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -45.97 -39.76 9.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 73.1 111.006 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 65' ' ' PHE . 7.6 mp -82.18 -25.61 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 72.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -67.33 -25.4 65.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.31 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -61.58 -22.53 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.34 109.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.637 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 13.0 mtm -107.87 -4.09 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 70.52 111.019 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.573 ' HA ' HD22 ' A' ' 76' ' ' LEU . 4.4 p -124.76 22.73 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 63.32 110.022 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 4.5 ptm85 -104.25 4.42 33.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.23 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.503 HE21 HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -130.62 23.73 5.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.02 110.267 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -132.75 16.07 4.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 52.12 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HZ3' ' HA ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -152.43 149.36 28.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 63.24 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -44.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 52.13 110.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 3.7 m120 -100.08 -174.76 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 70.31 109.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -86.44 48.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.01 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m 56.43 24.88 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 53.41 109.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.76 108.75 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 72.14 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -134.08 8.83 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 65.51 110.294 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 -29.97 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 72.1 110.274 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -75.54 -50.38 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 73.4 109.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -58.43 -20.07 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 75.44 109.259 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mt-10 -75.86 -53.11 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 70.34 110.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.676 ' HB2' ' OD1' ' A' ' 118' ' ' ASP . . . -66.67 -28.9 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 52.12 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CD1' HD13 ' A' ' 85' ' ' LEU . 3.1 m-85 -87.22 12.82 10.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 75.34 111.011 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HG3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -87.92 -29.22 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.13 109.335 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 88' ' ' ALA . 2.9 p -43.59 -54.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 75.51 109.332 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.815 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.3 m-30 -52.41 -30.24 28.3 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 123.664 1.697 . . . . 71.24 111.037 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.597 ' HB2' HG23 ' A' ' 100' ' ' ILE . 16.5 t0 -87.86 113.59 23.66 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 75.12 109.968 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -35.68 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 62.53 109.293 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -61.21 -17.06 51.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 62.14 109.292 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 48.97 65.53 2.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.164 . . . . 64.24 111.043 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.415 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -104.2 -21.31 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 74.41 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.68 22.45 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 73.13 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 tp -165.15 139.63 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 73.23 109.332 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 93' ' ' ASP . 2.0 pt -113.57 150.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.12 109.268 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.21 -171.47 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 43.12 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.909 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -78.86 -60.24 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 74.23 109.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 107' ' ' HIS . . . -52.67 -29.85 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 71.23 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 108' ' ' VAL . 9.8 tt0 -75.25 -34.92 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 64.32 110.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.2 tt -75.42 -26.89 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 62.44 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.971 ' HA ' HD12 ' A' ' 109' ' ' LEU . 26.3 tttm -92.15 -27.31 17.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.32 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 103' ' ' ALA . 43.8 t-80 -82.31 -25.94 33.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.52 109.573 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 112' ' ' ILE . 10.9 p -81.22 -24.27 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 72.41 109.314 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.971 HD12 ' HA ' ' A' ' 106' ' ' LYS . 3.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 108' ' ' VAL . 21.3 m -106.98 -24.66 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.24 110.398 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 108' ' ' VAL . 7.3 t -66.23 -13.01 59.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 60.21 110.0 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.2 mp -40.34 156.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 72.04 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.44 -6.71 12.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 73.33 110.981 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.531 ' HB3' HG23 ' A' ' 91' ' ' VAL . 2.1 mt-10 -54.67 -168.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 61.34 110.284 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.665 ' O ' HG23 ' A' ' 117' ' ' THR . 4.9 mtmp? -78.33 0.81 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 65.33 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER 42.56 27.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.41 109.335 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 115' ' ' LYS . 2.0 p -91.75 137.97 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.11 110.415 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.676 ' OD1' ' HB2' ' A' ' 88' ' ' ALA . 5.9 m-20 -95.86 -29.49 14.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.32 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.12 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 62.32 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.667 ' HG2' HD23 ' A' ' 121' ' ' LEU . 8.3 pt-20 -38.9 -43.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.44 110.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -101.19 -20.69 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 70.41 109.353 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.402 ' CD ' ' CD ' ' A' ' 87' ' ' GLU . 7.7 mt-10 -103.71 45.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 71.5 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 75.25 109.594 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -131.62 -174.55 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.31 109.561 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.78 169.84 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 72.53 109.617 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.01 32.38 18.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 75.04 109.607 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -84.98 135.82 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.44 109.584 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 128' ' ' HIS . 22.4 t-160 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.43 109.597 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.981 -0.377 . . . . 73.3 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -61.69 -28.32 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 73.3 110.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -145.36 165.89 27.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 72.5 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD22 ' HE2' ' A' ' 12' ' ' PHE . 8.7 mt -80.61 135.1 36.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.4 109.269 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.81 167.21 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 64.13 110.406 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -47.09 -31.7 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 73.55 110.288 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.83 -52.56 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 64.12 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -57.34 -55.75 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 65.3 110.316 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.66 -45.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 62.54 109.275 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.21 88.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 50.21 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 26.5 mm-40 -61.94 -53.98 48.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.13 110.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 23.1 m-85 -54.36 -45.12 72.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.5 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ3' ' HZ ' ' A' ' 65' ' ' PHE . 15.3 mttp -45.9 -28.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.45 109.29 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.65 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.7 mt-10 -92.93 -58.57 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 52.42 110.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.21 -28.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 64.11 109.36 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' HG13 ' A' ' 27' ' ' ILE . 4.1 t80 -70.75 -61.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 75.23 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.27 59.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.01 109.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 14' ' ' GLU . 9.9 mp -46.58 -35.12 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 72.42 109.328 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HD11 ' A' ' 109' ' ' LEU . 27.8 m-85 -98.99 -47.52 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.43 110.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.81 134.48 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 73.23 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' NZ ' HG21 ' A' ' 34' ' ' THR . 13.9 mmtt -84.65 -65.1 1.05 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 123.669 1.7 . . . . 74.44 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.6 p30 -81.62 2.65 28.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.924 -1.036 . . . . 73.12 109.973 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 41.05 57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 74.51 109.337 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 13.2 p-10 -86.86 -15.27 39.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.13 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.98 -7.52 21.61 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 52.1 111.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.59 150.54 50.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 71.2 110.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG13 ' CE1' ' A' ' 16' ' ' PHE . 15.2 mt -112.47 147.41 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.14 109.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -114.41 165.49 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 62.41 110.002 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -30.09 65.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 22.12 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -72.61 -37.08 68.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 71.44 109.977 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -84.81 -27.9 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 63.45 110.357 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.9 tt -75.64 -54.74 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.3 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -53.65 -31.21 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 75.12 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' NZ ' ' A' ' 21' ' ' LYS . 1.3 m -59.6 -32.26 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 72.34 110.401 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.85 -30.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 73.51 109.342 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.998 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.6 mmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.14 111.049 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 34' ' ' THR . 2.9 ptp180 -54.71 -24.6 22.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.14 110.249 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -25.26 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 65.44 110.041 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.998 HD12 ' CE ' ' A' ' 36' ' ' MET . 14.2 mt -72.57 -69.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 64.22 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.6 -39.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 34.13 111.005 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.3 pt? -81.07 170.29 16.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 72.23 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -132.47 79.82 64.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 75.32 110.044 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.59 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.95 141.55 26.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 65.5 111.027 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.967 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.6 t -99.2 164.31 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.24 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.65 -22.04 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 64.4 110.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.18 -36.08 18.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 42.42 109.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -78.53 -20.67 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 71.31 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 44' ' ' SER . 23.8 t -89.5 -39.89 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 74.33 109.326 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -58.36 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.22 109.29 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.98 -46.99 66.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 63.33 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.4 mt -74.22 -21.52 59.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 72.42 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.544 ' HG3' HG12 ' A' ' 48' ' ' VAL . 30.7 mmm -90.15 -13.61 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 74.33 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.58 -24.92 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 73.03 109.266 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' CG ' HG13 ' A' ' 55' ' ' ILE . 10.8 pt-20 -79.98 -33.59 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.33 110.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 63' ' ' ILE . 24.3 mt -87.87 -15.83 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 73.03 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.04 126.26 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 65.13 109.281 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' OE1' ' A' ' 67' ' ' GLU . 66.7 t -92.06 -26.05 5.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 CA-C-O 123.653 1.692 . . . . 75.2 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p30 -117.54 -20.49 8.99 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 117.9 -1.048 . . . . 74.1 109.999 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.33 40.5 6.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 64.33 111.025 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 45.3 p-10 -101.12 8.65 42.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 73.33 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.7 p-80 51.35 51.41 16.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.01 109.6 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -147.61 118.23 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.51 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.609 HG23 HG21 ' A' ' 55' ' ' ILE . 4.5 mm -87.56 122.64 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 71.44 109.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.19 171.03 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 72.51 110.326 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.787 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.1 t80 -65.76 -22.78 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 63.42 110.977 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -84.65 -43.11 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 73.12 110.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 57' ' ' VAL . 63.0 mt-10 -66.32 -39.36 89.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 63.44 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.2 -53.82 26.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 64.32 110.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 65' ' ' PHE . 6.7 mp -58.28 -43.83 88.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 72.04 109.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.94 -17.75 64.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.3 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -86.86 -28.74 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 72.34 109.331 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.535 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 12.1 mtm -93.6 2.43 56.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.15 111.01 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.595 ' OG ' HD11 ' A' ' 4' ' ' LEU . 3.9 m -110.22 -19.44 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 62.12 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 82' ' ' GLU . 42.3 mtt-85 -39.6 -52.36 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.03 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.83 141.15 55.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 70.24 110.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 99' ' ' LEU . 8.4 mp 62.18 43.57 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 65.34 109.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -174.82 146.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 72.11 109.346 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -55.15 141.06 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 74.45 110.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -140.26 161.92 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 72.22 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -80.69 54.99 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 74.12 109.245 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m 63.94 22.67 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 62.04 110.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 82.0 tt0 -75.93 -81.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 73.13 110.274 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 82' ' ' GLU . 5.6 mm-40 33.35 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 72.14 110.299 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.0 pt-20 -99.74 -21.21 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 74.33 110.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HG ' HD12 ' A' ' 71' ' ' LEU . 2.9 mm? -89.16 14.3 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 70.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -94.05 -56.4 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 64.11 109.292 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.974 ' N ' HD13 ' A' ' 86' ' ' LEU . 2.1 pp20? -88.67 -40.88 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 70.24 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -57.02 -44.51 82.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 100' ' ' ILE . 3.0 m-85 -98.22 30.65 3.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 72.43 110.978 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -86.9 -21.1 26.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 64.34 109.33 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.8 HG23 HD22 ' A' ' 116' ' ' LEU . 1.6 p -56.67 -29.98 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 70.25 109.348 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.831 ' CD1' HG23 ' A' ' 108' ' ' VAL . 5.6 m-30 -82.6 -12.08 57.95 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.644 1.687 . . . . 71.44 111.01 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB2' HG23 ' A' ' 100' ' ' ILE . 67.9 t0 -90.47 75.59 6.74 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.89 -1.052 . . . . 72.22 109.946 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -61.14 -14.96 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.33 109.333 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 3.5 t-20 -75.81 -1.87 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 63.55 109.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 90' ' ' LYS . . . 38.51 53.59 2.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 51.42 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -8.2 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 64.13 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' LEU . . . 90.05 -29.35 6.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 62.32 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.575 ' CD1' HD13 ' A' ' 76' ' ' LEU . 1.7 tp -87.64 150.81 23.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 71.3 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 93' ' ' ASP . 4.1 pt -131.36 135.81 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.4 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.6 p -115.35 -175.35 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.1 109.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -70.31 -15.8 62.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.23 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.46 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 55.54 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.91 -42.9 98.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 72.13 110.322 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -61.6 -39.93 92.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 62.34 109.341 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' A' ' 18' ' ' LEU . 36.1 tttm -72.8 -32.49 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 71.24 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -65.01 -15.76 62.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 65.33 109.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.831 HG23 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -55.3 -40.93 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 62.14 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.2 mp -61.47 -23.2 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.41 109.301 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.0 m -101.69 -9.77 20.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 61.02 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.9 m -61.93 -67.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 61.44 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mm 68.97 7.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 72.25 109.319 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.64 110.76 3.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 34.51 111.032 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 1.021 ' O ' HD12 ' A' ' 116' ' ' LEU . 1.7 mp0 -45.81 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 62.01 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -40.81 104.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.1 109.239 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.021 HD12 ' O ' ' A' ' 114' ' ' GLU . 3.0 mp -84.99 -174.98 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 72.14 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 p -114.26 165.23 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 74.12 110.384 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.01 -20.52 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 74.14 109.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.88 -0.76 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 62.54 109.296 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.91 -61.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 65.31 110.267 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 121' ' ' LEU . 2.0 pt? -110.97 -36.92 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.53 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.455 ' CG ' ' HG2' ' A' ' 87' ' ' GLU . 7.3 mm-40 -38.96 139.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 75.22 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -163.23 -178.44 5.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 74.04 109.632 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 124' ' ' HIS . 1.8 p80 -60.93 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 74.41 109.549 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -124.82 56.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.45 109.607 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -102.89 144.44 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 74.35 109.556 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -117.48 -59.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 61.34 109.592 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 56.7 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 60.13 109.555 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.943 -0.391 . . . . 74.53 109.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -56.43 153.99 9.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 72.13 110.014 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -146.69 145.0 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.3 109.284 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' HE2' ' A' ' 12' ' ' PHE . 6.9 mt -53.76 139.09 33.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 61.33 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -108.08 168.8 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 72.52 110.383 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -47.7 -51.5 21.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.01 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 37.6 mt-10 -47.75 -61.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 71.4 110.277 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.67 -60.14 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.4 110.31 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.1 mt -44.4 -45.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.44 109.336 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -60.22 -42.77 95.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 72.43 109.258 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.4 mm-40 -58.97 -42.85 90.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 74.41 110.338 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 102' ' ' ALA . 21.4 m-85 -66.88 -35.84 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.01 110.998 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -54.85 -22.84 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 72.32 109.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.673 ' O ' HD13 ' A' ' 18' ' ' LEU . 2.5 mt-10 -92.87 -66.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 74.01 110.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -40.38 -42.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.23 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.9 t80 -66.41 -56.94 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.1 110.973 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.1 -29.16 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.45 109.323 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 14' ' ' GLU . 11.0 mp -66.9 -36.44 82.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 71.13 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD21 ' A' ' 109' ' ' LEU . 7.4 m-85 -84.36 -28.6 26.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 74.42 111.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.53 136.43 45.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 72.5 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -82.77 -65.51 1.0 Allowed 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 123.632 1.682 . . . . 73.5 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 3.5 p30 -84.52 -6.7 59.39 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.868 -1.063 . . . . 64.42 109.964 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 64.04 53.39 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 54.21 109.321 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 30.6 p-10 -91.51 -29.66 16.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 70.11 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 114.99 -17.15 17.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 70.51 111.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.75 124.3 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 74.23 110.01 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.637 HD11 ' CE1' ' A' ' 16' ' ' PHE . 13.1 mt -102.88 140.15 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 72.44 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -112.35 161.63 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.23 109.994 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -29.41 63.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 70.24 110.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 p -69.16 -55.39 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.22 109.972 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.52 -27.44 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.04 110.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD22 ' SD ' ' A' ' 52' ' ' MET . 18.8 tp -71.89 -58.4 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.22 109.257 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -52.3 -40.85 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.22 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -47.16 -30.71 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 75.54 110.427 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.9 -33.92 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 71.51 109.349 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.877 ' CE ' HD12 ' A' ' 39' ' ' LEU . 3.3 mmt -59.41 -43.39 93.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.01 111.015 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' THR . 8.1 ptm180 -58.82 -29.55 66.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 73.22 110.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -11.93 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 52.12 110.034 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.877 HD12 ' CE ' ' A' ' 36' ' ' MET . 5.2 mt -84.83 -40.78 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.53 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' HD23 ' A' ' 41' ' ' LEU . . . 129.95 45.8 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 71.14 111.007 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 ' SD ' ' A' ' 36' ' ' MET . 0.4 OUTLIER -156.23 -176.17 5.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 33.13 109.267 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -147.52 75.29 11.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.41 109.942 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HB2' HG22 ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.98 141.6 26.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 74.05 111.044 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.3 m -92.67 142.82 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 62.14 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -42.36 -27.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 44' ' ' SER . . . -75.44 -49.0 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 74.01 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' SER . 45.4 mm-40 -61.39 -37.41 83.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.15 110.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 44' ' ' SER . 2.4 t -71.32 -53.18 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.13 109.264 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -46.98 -26.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.32 109.285 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 62.41 109.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 51' ' ' LEU . 3.0 mt -77.32 -31.16 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.15 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.667 ' SD ' HD22 ' A' ' 32' ' ' LEU . 43.2 mmm -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 71.04 110.986 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.51 -47.53 75.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 73.54 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.58 -47.97 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 54.52 110.323 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 63' ' ' ILE . 7.2 mt -70.12 -21.74 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 63.3 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 124.99 30.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 54.42 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.32 -21.74 6.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-O 123.6 1.667 . . . . 62.43 109.269 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 p30 -122.77 -20.66 5.82 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.855 -1.069 . . . . 51.25 109.971 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 41.36 6.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 43.24 111.014 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.3 p-10 -100.73 8.59 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 65.03 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 4.2 p-80 51.67 53.98 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 70.22 109.618 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 31.8 mt-30 -154.65 117.75 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 72.34 110.352 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD12 HG22 ' A' ' 55' ' ' ILE . 7.3 mm -91.91 117.15 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 64.14 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.44 163.74 17.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 74.15 110.318 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.711 ' O ' HD13 ' A' ' 69' ' ' LEU . 67.4 t80 -58.92 -23.14 60.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 71.32 111.027 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m -88.7 -50.01 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.22 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 50.5 mt-10 -55.75 -42.0 74.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 55.44 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 71' ' ' LEU . 8.2 t80 -60.38 -63.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 51.45 111.024 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 65' ' ' PHE . 3.0 mp -42.41 -28.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 70.12 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -59.14 -50.95 72.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 61.02 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 68' ' ' PHE . 1.2 pp -57.21 -42.21 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 71.44 109.353 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 68' ' ' PHE . 7.4 mtm -67.35 -9.4 40.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.4 111.005 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.45 -5.29 10.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 71.13 109.972 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ALA . 43.4 mtt85 -61.6 -14.16 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.21 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.595 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.2 mp0 -105.32 73.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 73.12 110.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 tp -125.23 -75.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 75.51 109.305 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -63.18 136.49 57.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 75.23 109.296 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 t -78.33 121.99 25.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 71.31 110.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.461 ' ND2' ' CA ' ' A' ' 128' ' ' HIS . 0.7 OUTLIER 66.22 46.26 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.14 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.92 173.09 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.32 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.7 m -94.72 -8.63 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -109.72 -14.24 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.44 110.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -70.91 -5.73 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 74.13 110.318 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -51.82 -21.06 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 72.12 110.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.6 tm? -92.3 23.64 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 74.42 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.673 HD23 ' C ' ' A' ' 86' ' ' LEU . 4.3 tt -93.75 -70.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 64.13 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.44 -34.26 73.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 72.44 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.711 ' HB2' ' OD2' ' A' ' 118' ' ' ASP . . . -67.7 -15.96 63.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.12 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 28.79 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.22 111.035 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' HD21 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -75.6 -15.81 60.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 51.51 109.31 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.605 ' CG2' HD13 ' A' ' 116' ' ' LEU . 2.4 p -43.68 -33.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.1 109.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.772 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.0 m-30 -72.64 -62.28 1.5 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 123.6 1.666 . . . . 70.23 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.552 ' HB2' HG23 ' A' ' 100' ' ' ILE . 14.2 t0 -54.18 98.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.927 -1.035 . . . . 61.34 109.966 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -87.5 -14.46 40.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 74.15 109.276 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 95' ' ' ASN . 2.2 p30 -87.94 12.47 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 52.23 109.354 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 41.6 63.27 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 60.45 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.4 -21.61 12.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 72.3 109.263 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 88.96 -11.72 68.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 72.13 110.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD12 ' HB3' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -119.16 149.86 41.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 63.54 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -133.62 134.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.9 m -115.29 -173.51 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.31 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -65.31 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 65.52 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.74 -27.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 64.02 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.16 -43.09 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 70.2 110.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.1 tt -56.61 -36.85 69.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 74.3 109.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -73.42 -23.5 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 44.44 109.28 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.03 -15.73 52.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 64.31 109.589 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -57.77 -39.65 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 72.43 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 19' ' ' PHE . 3.8 mt -64.16 -17.16 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 71.12 109.34 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -106.7 -2.45 21.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 42.42 110.389 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.83 -67.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 70.12 109.981 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mm 63.98 12.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 64.34 109.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.39 130.39 34.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 72.41 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.532 ' O ' HD22 ' A' ' 116' ' ' LEU . 3.2 mm-40 -86.15 -65.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 73.4 110.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.7 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 55.44 109.315 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.605 HD13 ' CG2' ' A' ' 91' ' ' VAL . 1.9 pt? -173.55 135.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.35 109.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.84 -179.55 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 64.13 110.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.711 ' OD2' ' HB2' ' A' ' 88' ' ' ALA . 2.5 t0 -111.52 -32.9 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 70.45 109.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.29 8.02 20.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 71.45 109.274 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' OE1' HD23 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -62.73 -35.38 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 73.43 110.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD23 ' OE1' ' A' ' 120' ' ' GLU . 1.1 mt -109.04 -52.29 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.31 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 124' ' ' HIS . 4.5 mt-10 -47.18 -24.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.45 110.33 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -40.57 -30.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 73.32 109.572 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 55.3 m80 -61.75 -173.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 44.31 109.636 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 124' ' ' HIS . 1.5 m80 -150.63 174.76 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 53.32 109.633 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 59.91 40.87 18.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 63.4 109.545 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -65.32 88.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 75.23 109.615 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.461 ' CA ' ' ND2' ' A' ' 79' ' ' ASN . 2.2 t-160 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.54 109.584 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_